43156-47-4|2-Nitro-5-(phenylthio)aniline| Ambeed

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Quality Control of [ 43156-47-4 ] Purity: 97% SDS Specification

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Product Details of [ 43156-47-4 ]

CAS No. :	43156-47-4
Formula :	C₁₂H₁₀N₂O₂S
M.W :	246.28
SMILES Code :	NC1=CC(SC2=CC=CC=C2)=CC=C1[N+]([O-])=O
MDL No. :	MFCD00129835
InChI Key :	AJGJUXSVUPXOHL-UHFFFAOYSA-N
Pubchem ID :	170737

Safety of [ 43156-47-4 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H319
Precautionary Statements:	P305+P351+P338

Computational Chemistry of [ 43156-47-4 ] Show Less

Physicochemical Properties

Num. heavy atoms	17
Num. arom. heavy atoms	12
Fraction Csp3	0.0
Num. rotatable bonds	3
Num. H-bond acceptors	2.0
Num. H-bond donors	1.0
Molar Refractivity	70.23
TPSA ? Topological Polar Surface Area: Calculated from Ertl P. et al. 2000 J. Med. Chem.	97.14 Å²

Lipophilicity

Log P_o/w (iLOGP)? iLOGP: in-house physics-based method implemented from Daina A et al. 2014 J. Chem. Inf. Model.	2.15
Log P_o/w (XLOGP3)? XLOGP3: Atomistic and knowledge-based method calculated by XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry	3.28
Log P_o/w (WLOGP)? WLOGP: Atomistic method implemented from Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.	3.34
Log P_o/w (MLOGP)? MLOGP: Topological method implemented from Moriguchi I. et al. 1992 Chem. Pharm. Bull. Moriguchi I. et al. 1994 Chem. Pharm. Bull. Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.	2.42
Log P_o/w (SILICOS-IT)? SILICOS-IT: Hybrid fragmental/topological method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	0.66
Consensus Log P_o/w? Consensus Log P_o/w: Average of all five predictions	2.37

Water Solubility

Log S (ESOL):? ESOL: Topological method implemented from Delaney JS. 2004 J. Chem. Inf. Model.	-3.76
Solubility	0.043 mg/ml ; 0.000175 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Soluble
Log S (Ali)? Ali: Topological method implemented from Ali J. et al. 2012 J. Chem. Inf. Model.	-4.99
Solubility	0.00249 mg/ml ; 0.0000101 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Moderately soluble
Log S (SILICOS-IT)? SILICOS-IT: Fragmental method calculated by FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com	-4.05
Solubility	0.0218 mg/ml ; 0.0000887 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	Moderately soluble

Pharmacokinetics

GI absorption? Gatrointestinal absorption: according to the white of the BOILED-Egg	High
BBB permeant? BBB permeation: according to the yolk of the BOILED-Egg	No
P-gp substrate? P-glycoprotein substrate: SVM model built on 1033 molecules (training set) and tested on 415 molecules (test set) 10-fold CV: ACC=0.72 / AUC=0.77 External: ACC=0.88 / AUC=0.94	No
CYP1A2 inhibitor? Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.83 / AUC=0.90 External: ACC=0.84 / AUC=0.91	Yes
CYP2C19 inhibitor? Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set) and tested on 3000 molecules (test set) 10-fold CV: ACC=0.80 / AUC=0.86 External: ACC=0.80 / AUC=0.87	Yes
CYP2C9 inhibitor? Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set) and tested on 2075 molecules (test set) 10-fold CV: ACC=0.78 / AUC=0.85 External: ACC=0.71 / AUC=0.81	Yes
CYP2D6 inhibitor? Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set) and tested on 1068 molecules (test set) 10-fold CV: ACC=0.79 / AUC=0.85 External: ACC=0.81 / AUC=0.87	No
CYP3A4 inhibitor? Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set) and tested on 2579 molecules (test set) 10-fold CV: ACC=0.77 / AUC=0.85 External: ACC=0.78 / AUC=0.86	No
Log Kp (skin permeation)? Skin permeation: QSPR model implemented from Potts RO and Guy RH. 1992 Pharm. Res.	-5.47 cm/s

Druglikeness

Lipinski? Lipinski (Pfizer) filter: implemented from Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev. MW ≤ 500 MLOGP ≤ 4.15 N or O ≤ 10 NH or OH ≤ 5	0.0
Ghose? Ghose filter: implemented from Ghose AK. et al. 1999 J. Comb. Chem. 160 ≤ MW ≤ 480 -0.4 ≤ WLOGP ≤ 5.6 40 ≤ MR ≤ 130 20 ≤ atoms ≤ 70	None
Veber? Veber (GSK) filter: implemented from Veber DF. et al. 2002 J. Med. Chem. Rotatable bonds ≤ 10 TPSA ≤ 140	0.0
Egan? Egan (Pharmacia) filter: implemented from Egan WJ. et al. 2000 J. Med. Chem. WLOGP ≤ 5.88 TPSA ≤ 131.6	0.0
Muegge? Muegge (Bayer) filter: implemented from Muegge I. et al. 2001 J. Med. Chem. 200 ≤ MW ≤ 600 -2 ≤ XLOGP ≤ 5 TPSA ≤ 150 Num. rings ≤ 7 Num. carbon > 4 Num. heteroatoms > 1 Num. rotatable bonds ≤ 15 H-bond acc. ≤ 10 H-bond don. ≤ 5	0.0
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat implemented from Martin YC. 2005 J. Med. Chem.	0.55

Medicinal Chemistry

PAINS? Pan Assay Interference Structures: implemented from Baell JB. & Holloway GA. 2010 J. Med. Chem.	0.0 alert
Brenk? Structural Alert: implemented from Brenk R. et al. 2008 ChemMedChem	3.0 alert: heavy_metal
Leadlikeness? Leadlikeness: implemented from Teague SJ. 1999 Angew. Chem. Int. Ed. 250 ≤ MW ≤ 350 XLOGP ≤ 3.5 Num. rotatable bonds ≤ 7	No; 1 violation:MW<1.0
Synthetic accessibility? Synthetic accessibility score: from 1 (very easy) to 10 (very difficult) based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties, trained on 12'782'590 molecules and tested on 40 external molecules (r² = 0.94)	2.55

Application In Synthesis of [ 43156-47-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 43156-47-4 ]

[ 43156-47-4 ] Synthesis Path-Downstream 1~35

1
[ 38870-89-2 ]
[ 43156-47-4 ]
[ 59011-22-2 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

2
[ 14077-58-8 ]
[ 43156-47-4 ]
[ 59011-18-6 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

3
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[ 43156-47-4 ]
[ 59011-24-4 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

4
[ 43156-47-4 ]
[ 79-03-8 ]
[ 58306-64-2 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

5
[ 43156-47-4 ]
[ 79-03-8 ]
[ 58306-70-0 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

6
[ 43156-47-4 ]
[ 541-41-3 ]
[ 58306-65-3 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

7
[ 43156-47-4 ]
[ 541-41-3 ]
[ 59011-21-1 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

8
[ 43156-47-4 ]
[ 638-29-9 ]
[ 59011-19-7 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

9
[ 43156-47-4 ]
[ 638-29-9 ]
[ 59011-25-5 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

10
[ 43156-47-4 ]
[ 142-61-0 ]
[ 58306-66-4 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

11
[ 43156-47-4 ]
[ 142-61-0 ]
[ 59011-26-6 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

12
[ 43156-47-4 ]
[ 75-36-5 ]
[ 58306-63-1 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

13
[ 43156-47-4 ]
[ 75-36-5 ]
[ 54394-15-9 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

14
[ 43156-47-4 ]
[ 141-75-3 ]
[ 58306-62-0 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

15
[ 43156-47-4 ]
[ 141-75-3 ]
[ 59011-17-5 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

16
[ 43156-47-4 ]
[ 701-99-5 ]
[ 58306-68-6 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

17
[ 43156-47-4 ]
[ 701-99-5 ]
[ 59011-23-3 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

18
[ 35266-49-0 ]
[ 43156-47-4 ]
[ 74-88-4 ]
[ 65671-13-8 ]

References: [1]Patent: DE2720290,1977, .
Chem.Abstr.,1978,vol. 88.

19
[ 35266-49-0 ]
[ 43156-47-4 ]
[ 56069-34-2 ]

Yield	Reaction Conditions	Operation in experiment
	In acetonitrile;	Methoxycarbonyl isothiocyanate (12 g.) was added dropwise during 5 minutes to a stirred solution of 3-amino-4-nitrodiphenyl thioether (prepared as hereinbefore described in Example 1; 12.3 g.) in acetonitrile (90 ml.). The reaction temperature was maintained at 15°-20° C. during the addition by external cooling. The mixture was then warmed to 40°-45° C. and stirred for a further 5 hours, during which time a yellow solid separated. The reaction mixture was cooled in ice and filtered. The residue was washed with diethyl ether and dried to give 3-(3-methoxycarbonyl-2-thioureido)-4-nitrodiphenyl thioether (12.9 g.), m.p. 144°-145° C. (with decomposition).
	In acetonitrile;	(a) Methoxycarbonyl isothiocyanate (12 g) was added dropwise during 5 minutes to a stirred solution of 3-amino-4-nitrodiphenyl thioether (prepared as hereinbefore described in Reference Example 1; 12.3 g) in acetonitrile (90 ml). The reaction temperature was maintained at 15°-20° C during the addition by external cooling. The mixture was then warmed to 40°-45° C and stirred for a further 5 hours, during which time a yellow solid separated. The reaction mixture was cooled in ice and filtered. The residue was washed with diethyl ether and dried to give 3-(3-methoxycarbonyl-2-thioureido)-4-nitrodiphenyl thioether (12.9 g), m.p. 144°-145° C (with decomposition).

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1988,vol. 27,p. 672 - 673.
[2]Patent: US4034107,1977,A .
[3]Patent: US4071528,1978,A .

20
[ 43156-47-4 ]
[ 43156-48-5 ]

Yield	Reaction Conditions	Operation in experiment
21.2 g	With platinum on activated charcoal; hydrogen; In ethanol; at 70 - 90℃; under 7500.75 - 15001.5 Torr; for 8.0h;	A 500ml four-necked flask equipped with a thermometer and a stirring device, was added in a weight ratio of 2-nitro-phenylsulfanyl aniline ethanol 4 times, 36.9g of 2-nitro-phenylsulfanyl aniline, weight ratio of 2-nitro-phenylsulfanyl aniline 0.1 times platinum on carbon, turned stirred and heated to 70-90 hydrogen atmosphere, to a pressure 1.0-2.0MPa, hydrogenation reaction of 8 hours, platinum on carbon catalyst was filtered off, The ethanol was evaporated to give 4-phenylthio-o-phenylenediamine 21.2g, was used directly in the next reaction.

References: [1]Archiv der Pharmazie,1983,vol. 316,p. 638 - 638.
[2]Journal of Heterocyclic Chemistry,2004,vol. 41,p. 273 - 276.
[3]Patent: CN103242238,2016,B .Location in patent: Paragraph 0039; 0040.

21
[ 1635-61-6 ]
[ 108-98-5 ]
[ 43156-47-4 ]

Yield	Reaction Conditions	Operation in experiment
96.4%	With ammonia; In isopropyl alcohol;	Example 2 In an autoclave, 255 g of 5-chloro-2-nitroaniline (78.3percent by weight) were suspended in 250 ml of isopropanol. The reaction mixture was heated to 60° C. and 95.7 g of ammonia were pumped into the autoclave, resulting in a pressure of 9 bar. At this temperature, 161 g of thiophenol (98percent by weight) were then pumped into the autoclave over the course of 1.5 hours. At the same time, the pressure was maintained at 9 bar by further metered addition of ammonia. After 6 hours, the autoclave was cooled to room temperature and vented. The content of the autoclave was filtered off, the autoclave was rinsed with isopropanol and the liquid used for rinsing was also filtered off. The combined residues were washed with water and dried. This gave 298.6 g of 2-nitro-5-(phenylthio)-aniline in the form of a yellow powder having a content of 91.2percent by weight. This corresponds to a yield of 96.4percent of theory.
95.8%	With ammonia; In 2-methyl-propan-1-ol;	Example 3 In an autoclave, 200 g of 5-chloro-2-nitroaniline (79.2percent by weight) were suspended in 200 ml of isobutanol. The reaction mixture was heated to 60° C. and 26 g of ammonia were pumped into the autoclave, resulting in a pressure of 4 bar. At this temperature, 126 g of thiophenol (98percent by weight) were then pumped into the autoclave over the course of 1.5 hours. At the same time, the pressure was maintained at 4 bar by further metered addition of ammonia. After 6 hours, the autoclave was cooled to room temperature and vented. The content of the autoclave was filtered off, the autoclave was rinsed with isobutanol and the liquid used for rinsing was also filtered off. The combined residues were washed with water and dried. This gave 240.6 g of 2-nitro-5-(phenylthio)-aniline in the form of a yellow powder having a content of 90.0percent by weight. This corresponds to a yield of 95.8percent of theory.
	In N-methyl-acetamide;	EXAMPLE I 5 G. of 2-amino-4-chloro-1-nitrobenzene is added to a solution of sodium phenyl mercaptide, prepared under nitrogen from 2.53 g. 57percent sodium hydride and 6.2 ml. thiophenol in 20 ml. dimethylformamide, with a 10 ml. dimethylformamide rinse. The mixture is stirred under nitrogen for three hours at 20°-30°C and then diluted with water. The crude product is washed with water and hexane, then recrystallized from methanol, yielding 2-amino-4-phenylthio-1-nitrobenzene.

	With potassium carbonate; In N-methyl-acetamide; water;	Thiophenol (44 g.) was added, over a period of 5 minutes and under an atmosphere of dry nitrogen, to a suspension of 5-chloro-2-nitro-aniline (66.5 g.; prepared according to Fuson et al, J. Org. Chem., 12, 799-806, 1947) and anhydrous potassium carbonate (60.6 g.) in dimethylformamide (200 ml.). The reaction mixture was heated under reflux for 8 hours and then cooled. Water (200 ml.) was added dropwise whilst maintaining the temperature at 5°-10° C. The precipitated solid was filtered off, washed well with water and recrystallized from isopropanol, to give 3-amino-4-nitro-diphenyl thioether (83 g.), m.p. 117°-118° C., in the form of a pale brown solid.
	In N-methyl-acetamide; water;	EXAMPLE XI 2.53 G. 57percent sodium hydride in oil suspension in 20 ml. dimethylformamide is treated with 6.2 ml. thiophenol under nitrogen. 5.0 G. 2-amino-4-chloro-1-nitrobenzene is added and the mixture stirred for three hours. Water is added and the product filtered off and washed with water and hexane. Recrystallization from methanol gives pure 2-amino-4-phenylthio-1-nitrobenzene. 1.8 G.
	In N-methyl-acetamide;	PREPARATION 3 5 G. of 2-amino-4-chloro-1-nitrobenzene is added to a solution of sodium phenyl mercaptide, prepared under nitrogen from 2.53 g. 57percent sodium hydride and 6.2 ml. thiophenol in 20 ml. dimethylformamide, with a 10 ml. dimethylformamide rinse. The mixture is stirred under nitrogen for 3 hours at 20°-30° C and then diluted with water. The crude product is washed with water and hexane, then recrystallized from methanol, yielding 2-amino-4-phenylthio-1-nitrobenzene.

References: [1]Patent: US6552230,2003,B1 .
[2]Patent: US6552230,2003,B1 .
[3]Archiv der Pharmazie,1983,vol. 316,p. 638 - 638.
[4]Journal of Heterocyclic Chemistry,2004,vol. 41,p. 273 - 276.
[5]Patent: US3965113,1976,A .
[6]Patent: US4034107,1977,A .
[7]Patent: US4072696,1978,A .
[8]Patent: US4011320,1977,A .

23
[ 43156-47-4 ]
[ 43210-67-9 ]

References: [1]Journal of Heterocyclic Chemistry,2004,vol. 41,p. 273 - 276.

24
[ 43156-47-4 ]
[ 68828-79-5 ]

References: [1]Archiv der Pharmazie,1983,vol. 316,p. 638 - 638.

25
[ 43156-47-4 ]
[ 56068-98-5 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1988,vol. 27,p. 672 - 673.

26
[ 43156-47-4 ]
[ 58521-87-2 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1988,vol. 27,p. 672 - 673.

27
[ 43156-47-4 ]
[ 117844-65-2 ]

References: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1988,vol. 27,p. 672 - 673.

28
[ 43156-47-4 ]
[ 65671-19-4 ]

References: [1]Patent: DE2720290,1977, .
Chem.Abstr.,1978,vol. 88.

29
[ 43156-47-4 ]
[ 59011-14-2 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

30
[ 43156-47-4 ]
[ 59011-13-1 ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

31
[ 43156-47-4 ]
C₁₉H₂₁N₃O₃S₂ [ No CAS ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

32
[ 43156-47-4 ]
C₂₀H₂₃N₃O₃S₂ [ No CAS ]

References: [1]Patent: DE2434183,1976, .
Chem.Abstr.,1976,vol. 84.

33
[ 611-06-3 ]
[ 108-98-5 ]
[ 43156-47-4 ]

Yield	Reaction Conditions	Operation in experiment
89.5%	With ammonia; In isopropyl alcohol;	Example 8 200 ml of isopropanol were initially charged in an autoclave, and 196 g of 2,4-dichloronitrobenzene (98percent by weight) were added. The autoclave was sealed and heated to 120° C. At this temperature, ammonia was pumped in until a pressure of 30 bar had been reached. By metered further addition of ammonia during the reaction, the pressure was maintained at 30 bar for the next 12 hours. The reaction mixture was then cooled to 60° C. and 118 g of thiophenol (98percent by weight) were then metered in over the course of 2 h. The reaction mixture was then stirred for 6 hours, cooled to room temperature and vented. The product suspension was filtered off with suction and the solid was washed initially with isopropanol and then with water, and dried. This gave 232.2 g of 2-nitro-5-(phenylthio)-aniline having a content of 94.9percent by weight, corresponding to a yield of 89.5percent of theory.

References: [1]Patent: US6552230,2003,B1 .

34
[ 1122-97-0 ]
[ 252019-48-0 ]
[ 43156-47-4 ]

Yield	Reaction Conditions	Operation in experiment
		Chem., 1975, 18, 1164 for the preparation of 2-nitro-5-phenylsulphanylaniline but using 4-methylsulphanylthiophenol in place of thiophenol) was added portionwise over 5 minutes and the mixture was stirred a further 2 hours at 0° C., allowed to warm to ambient temperature, and stirred a further 16 hours. Volatile material was removed by evaporation and the residue was purified by flash chromatography on silica gel eluding with 10-30percent ethyl acetate/hexane to give the title compound (4.5 g) as a solid. NMR (CDCl3) 2.52 (s, 3H), 7.03-7.08 (m, 1H), 7.3 (d, 2H), 7.36-7.38 (m, 1H), 7.44 (d, 2H), 7.77 (d, 1H).

References: [1]Patent: US6498275,2002,B1 .

35
[ 1635-61-6 ]
[ 43156-48-5 ]
[ 598-52-7 ]
[ 108-98-5 ]
[ 79-22-1 ]
5-phenylmercapto-benzimidazole-2-methyl-carbaminate [ No CAS ]
[ 43156-47-4 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; In N-methyl-acetamide; water; potassium carbonate; acetic acid;	EXAMPLE 40 5-Phenylmercapto-benzimidazole-2-methyl-carbaminate 20.9 g Of S-methyl-thiourea were reacted as described in Example 1 in 27 ml of water with 13.5 ml of chloroformic acid methyl ester, 45.7 ml of 25percent sodium hydroxide solution, 27 ml of glacial acetic acid, 100 ml of water and 29 g of 3,4-diaminodiphenyl-thioether. After recrystallization from a mixture of glacial acetic acid and methanol, 14 g of 4-phenylmercapto-benzimidazole-2-methyl-carbaminate melting at 233°C were obtained. For preparing the 3,4-diamino-diphenyl-thioether used as starting material, 22 g of thiophenol were heated for 6 hours under reflux in 100 ml of dimethylformamide with 5-chloro-2-nitroaniline in the presence of 30g of anhydrous potassium carbonate. The whole was allowed to cool, 100 ml of water were added and the crude product was filtered off with suction. After recrystallization from isopropanol, 38 g of 3-amino-4-nitro-diphenyl-thioether melting at 112°C were obtained. 38 g Of the 3-amino-4-nitro-diphenyl-thioether so obtained were added to a solution prepared by dissolving 180 g of crystal-water containing stannous chloride in 200 ml of glacial acetic acid and saturation with gaseous hydrochloric acid at room temperature.

References: [1]Patent: US3954791,1976,A .

Historical Records

Technical Information

• Hydride Reductions • Nucleophilicity of Sulfur Compounds • Oxidation States of Sulfur Compounds

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P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
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P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
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P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
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Code	Phrase
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P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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CAS No.: 43156-47-4

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CAS No.: 43156-47-4

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[ 43156-47-4 ] Synthesis Path-Downstream 1~35

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