167300-06-3|3-(Methoxycarbonyl)-4-methylbenzoic acid| Ambeed

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Quality Control of [ 167300-06-3 ] Purity: 98% SDS Specification

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Product Details of [ 167300-06-3 ]

CAS No. :	167300-06-3
Formula :	C₁₀H₁₀O₄
M.W :	194.18
SMILES Code :	COC(=O)C1=C(C)C=CC(=C1)C(O)=O
MDL No. :	MFCD03265441
InChI Key :	FLYZXCACBSFFHE-UHFFFAOYSA-N
Pubchem ID :	22069802

Safety of [ 167300-06-3 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H332-H335
Precautionary Statements:	P261-P280-P305+P351+P338

Computational Chemistry of [ 167300-06-3 ] Show Less

Physicochemical Properties

Num. heavy atoms	14
Num. arom. heavy atoms	6
Fraction Csp3	0.2
Num. rotatable bonds	3
Num. H-bond acceptors	4.0
Num. H-bond donors	1.0
Molar Refractivity	49.65
TPSA ? Topological Polar Surface Area: Calculated from Ertl P. et al. 2000 J. Med. Chem.	63.6 Å²

Lipophilicity

Log P_o/w (iLOGP)? iLOGP: in-house physics-based method implemented from Daina A et al. 2014 J. Chem. Inf. Model.	1.76
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	2.28
Log P_o/w (WLOGP)? WLOGP: Atomistic method implemented from Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.	1.48
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.	1.82
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	1.6
Consensus Log P_o/w? Consensus Log P_o/w: Average of all five predictions	1.79

Water Solubility

Log S (ESOL):? ESOL: Topological method implemented from Delaney JS. 2004 J. Chem. Inf. Model.	-2.6
Solubility	0.488 mg/ml ; 0.00251 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.	-3.25
Solubility	0.109 mg/ml ; 0.000559 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	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	-2.24
Solubility	1.12 mg/ml ; 0.00578 mol/l
Class? Solubility class: Log S scale Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly	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	Yes
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	No
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	No
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	No
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.	-5.87 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	1.0
Bioavailability Score? Abbott Bioavailability Score: Probability of F > 10% in rat implemented from Martin YC. 2005 J. Med. Chem.	0.56

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	0.0 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)	1.7

Application In Synthesis of [ 167300-06-3 ]

* 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 [ 167300-06-3 ]

[ 167300-06-3 ] Synthesis Path-Downstream 1~17

1
[ 67-56-1 ]
BF₄^(1-)*C₈H₇N₂O₂⁽¹⁺⁾ [ No CAS ]
[ 201230-82-2 ]
[ 167300-06-3 ]

Yield	Reaction Conditions	Operation in experiment
	palladium diacetate; at 20℃; for 1.25h;	3-Amino-4-methylbenzoic acid was diazotized by stirring a solution in tetrafluoroboric acid at O0C. NaNO2 was added slowly, stirred at same temperature for Ih. White solid was filtered. Solid was washed with cooled water followed by Et2O. the crude diazonium salt was air dried and kept in freeze.The above diazonium salt was carbonylated in MeOH solution. Argon was passed through the solution for 15 min. Pd(OAc)2 was added into the reaction mixture under argon atmosphere at RT. Carbon monoxide was passed through the solution at RT under stirring for Ih. Reaction mixture was filtered through celite bed.Organics was concentrated crude was purified by column chromatography to get 4- methyl-isophthalic acid 3-methyl ester. . 1H NMR (400MHz, DMSO-de): 6 2.58 (3H, s), 3.85 (3H, s), 7.47 (IH, d, J = 7.97 Hz), 8.01 (IH, dd, J = 1.64 Hz, J = 7.88Hz), 8.37 (IH, d, J = 1.48 Hz), 13.19 (IH, bs). FIA MS: (m/z 194).To a stirred solution of the above mono-ester in THF 4-DMAP was added slowly at00C. (BOC)2O was added slowly to the reaction mixture and stirred for over night at RT. Reaction mass was concentrated and purified by column chromatography to get 4-Methyl-isophthalic acid 1-tert-butyl ester 3-methyl ester. 1H NMR (400MHz, <n="62"/>DMSO-de): delta 1.57 (9H, s), 2.50 (3H, s), 3.85 (3H, s), 7.46 (IH, d, J = 8.04 Hz), 7.96 (lH,dd, J = 1.84 Hz, J = 7.96 Hz), 8.30 (IH, d, J = 1.8 Hz). FIA MS: (m/z 250)To a stirred solution of the above mixed methyl-(tert. -butyl) ester in DMF-H2O,NaOH was added. Reaction mixture was stirred at RT for over night. After completion of the reaction pH of the reaction mass was adjusted by using l(N) HCl to neutral. Reaction mass was extracted by EtOAc. Organics was concentrated; residue was purified by column chromatography to get 4-methyl-isophthalic acid 1- tert-butyl ester as white solid. . 1H NMR (400MHz, DMSO-d6): delta 1.54 (9H, s), 2.53(3H, s), 7.43 (IH, d, J - 8 Hz), 7.93 (IH, dd, J = 1.68 Hz, J = 7.96 Hz), 8.31 (IH, d, J = 1.44 Hz), 13.15 (IH, bs). FIA MS: (m/z 236).

References: [1]Patent: WO2008/28617,2008,A1 .Location in patent: Page/Page column 60-61.

2
[ 167300-06-3 ]
[ 24424-99-5 ]
[ 1012342-32-3 ]

Yield	Reaction Conditions	Operation in experiment
	With dmap; In tetrahydrofuran; at 0 - 20℃;	3-Amino-4-methylbenzoic acid was diazotized by stirring a solution in tetrafluoroboric acid at O0C. NaNO2 was added slowly, stirred at same temperature for Ih. White solid was filtered. Solid was washed with cooled water followed by Et2O. the crude diazonium salt was air dried and kept in freeze.The above diazonium salt was carbonylated in MeOH solution. Argon was passed through the solution for 15 min. Pd(OAc)2 was added into the reaction mixture under argon atmosphere at RT. Carbon monoxide was passed through the solution at RT under stirring for Ih. Reaction mixture was filtered through celite bed.Organics was concentrated crude was purified by column chromatography to get 4- methyl-isophthalic acid 3-methyl ester. . 1H NMR (400MHz, DMSO-de): 6 2.58 (3H, s), 3.85 (3H, s), 7.47 (IH, d, J = 7.97 Hz), 8.01 (IH, dd, J = 1.64 Hz, J = 7.88Hz), 8.37 (IH, d, J = 1.48 Hz), 13.19 (IH, bs). FIA MS: (m/z 194).To a stirred solution of the above mono-ester in THF 4-DMAP was added slowly at00C. (BOC)2O was added slowly to the reaction mixture and stirred for over night at RT. Reaction mass was concentrated and purified by column chromatography to get 4-Methyl-isophthalic acid 1-tert-butyl ester 3-methyl ester. 1H NMR (400MHz, <n="62"/>DMSO-de): delta 1.57 (9H, s), 2.50 (3H, s), 3.85 (3H, s), 7.46 (IH, d, J = 8.04 Hz), 7.96 (lH,dd, J = 1.84 Hz, J = 7.96 Hz), 8.30 (IH, d, J = 1.8 Hz). FIA MS: (m/z 250)To a stirred solution of the above mixed methyl-(tert. -butyl) ester in DMF-H2O,NaOH was added. Reaction mixture was stirred at RT for over night. After completion of the reaction pH of the reaction mass was adjusted by using l(N) HCl to neutral. Reaction mass was extracted by EtOAc. Organics was concentrated; residue was purified by column chromatography to get 4-methyl-isophthalic acid 1- tert-butyl ester as white solid. . 1H NMR (400MHz, DMSO-d6): delta 1.54 (9H, s), 2.53(3H, s), 7.43 (IH, d, J - 8 Hz), 7.93 (IH, dd, J = 1.68 Hz, J = 7.96 Hz), 8.31 (IH, d, J = 1.44 Hz), 13.15 (IH, bs). FIA MS: (m/z 236).

References: [1]Patent: WO2008/28617,2008,A1 .Location in patent: Page/Page column 60-61.

3
[ 167300-06-3 ]
[ 1272674-58-4 ]
[ 1346607-24-6 ]

References: [1]Patent: WO2011/138307,2011,A1 .

4
[ 167300-06-3 ]
[ 1272674-58-4 ]
[ 1346608-07-8 ]

Yield	Reaction Conditions	Operation in experiment
33.5%		To a solution of <strong>[167300-06-3]4-methyl-3-[(methyloxy)carbonyl]benzoic acid</strong> (100 mg, 0.52 mmol) in toluene (20 mL) was added triethylamine (0.14 ml_, 1.03 mmol) and diphenyl azidophosphate (0.13 mL, 0.62 mmol) were added. The reaction mixture was stirred 5 hours at 90 C. After cooling, ethyl 3-amino-5-chloro-1 -[2'-hydroxy-3'-(methyloxy)-4- biphenylyl]-1 H-pyrrole-2-carboxylate (Intermediate 8; 200 mg, 0.52 mmol) was added and the reaction was stirred 3 days at 50C. Water was added to the reaction and toluene was evaporated in vacuo. After extraction with DCM, drying on sodium sulfate and evaporation, the product was purified by chromatography on silica gel using cyclohexane/EtOAc 90/10 to 80/20 as gradient. The pure fractions were concentrated in vacuo to give the title compound ethyl 5-chloro-1-[2'-hydroxy-3'- (methyloxy)-4-biphenylyl]-3-[({4-methyl-3-[(methyloxy)carbonyl]phenyl}amino)carbonyl]amino}-1 H-pyrrole-2-carboxylate (100 mg, 0.17 mmol, 33.5 % yield) as a white solid.LCMS: (M+H)+=578, Rt= 4.03 min.

References: [1]Patent: WO2011/138307,2011,A1 .Location in patent: Page/Page column 59; 60.

5
[ 7697-26-9 ]
[ 79-22-1 ]
[ 167300-06-3 ]

References: [1]Patent: US9024022,2015,B2 .Location in patent: Page/Page column 18.

6
[ 167300-06-3 ]
C₁₄H₁₇BrO₄ [ No CAS ]

References: [1]Patent: US9024022,2015,B2 .

7
[ 167300-06-3 ]
C₁₄H₁₇N₃O₄ [ No CAS ]

References: [1]Patent: US9024022,2015,B2 .

8
[ 167300-06-3 ]
C₁₀H₉N₃O₄ [ No CAS ]

References: [1]Patent: US9024022,2015,B2 .

9
[ 167300-06-3 ]
[ 540-88-5 ]
[ 1012342-32-3 ]

References: [1]Patent: US9024022,2015,B2 .Location in patent: Page/Page column 18.

10
[ 105650-34-8 ]
[ 167300-06-3 ]

References: [1]Patent: WO2018/89433,2018,A1 .

11
[ 167300-06-3 ]
[ 111373-03-6 ]
C₂₁H₂₁N₃O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
44%	With N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃; for 4h;	3-(Methoxycarbonyl)-4-methylbenzoic acid jlntermediate 36J (247 mg, 1.27 mmol),2-(piperazin-1-yl)benzonitrile [Amine 72] (234.97 pi, 1.4 mmol) and HATU (580.38 mg, 1.53mmol) were suspended in DMF (5 ml) then the reaction was stirred at ambient temperature for 3hours. Further HATU (100 mg, 0.26 mmol) was added and the reaction was stirred for a further 1hour. The reaction was then partitioned between 4:1 EtOAC / heptane (30 ml) and water (30 ml)then the organic layer was separated, dried over Na2SO4, filtered and concentrated in vacuo. The residue was purified via flash chromatography using gradients from heptane to EtOAc followed by EtOAc to methanol to yield the title compound as a white powder (285 mg, 44%).LCMS Method 2 - Tr = 1.12 mm (ES+) (M+Ffb) 364.1

References: [1]Patent: WO2018/89433,2018,A1 .Location in patent: Paragraph 00318.

12
[ 675148-96-6 ]
[ 167300-06-3 ]

Yield	Reaction Conditions	Operation in experiment
85%	With Oxone; In N,N-dimethyl-formamide; at 20℃; for 18h;	Methyl 5-formyl-2-methylbenzoate jlntermediate 35J (268 mg, 1.5 mmol) was dissolved in DMF (5 ml) then Oxone (1.110 g, 1.8 mmol) was added and the reaction was stirred at ambient temperature for 18 hours. The reaction was diluted with EtOAc (10 ml) followed by aq HC1 (0.5 M, 20 ml) then the organics were separated, dried over Na2SO4, filtered and concentrated in vacuo to give the title compound as an off-white powder (247 mg, 85%).1H NIVIR (500 IVIFIz, DMSO-d6) 8.38 (d, J = 1.8 Hz, 1H), 8.01 (dd, J = 7.9, 1.9 Hz, 1H), 7.48 (d, J = 8.0 Hz, 1H), 3.86 (s, 3H), 2.59 (s, 3H).

References: [1]Patent: WO2018/89433,2018,A1 .Location in patent: Paragraph 00317.

13
[ 167300-06-3 ]
2-{4-[3-(hydroxymethyl)-4-methylbenzoyl]piperazin-1-yl}benzonitrile [ No CAS ]

References: [1]Patent: WO2018/89433,2018,A1 .

14
[ 167300-06-3 ]
2-(4-{3-[4-(2-cyanophenyl)-2-oxopiperazine-1-carbonyl]-4-methylbenzoyl}piperazin-1-yl)benzonitrile [ No CAS ]

References: [1]Patent: WO2018/89433,2018,A1 .

15
[ 167300-06-3 ]
2-[4-(3-[4-(2-cyanophenyl)-2-oxopiperazin-1-yl]methyl}-4-methylbenzoyl)piperazin-1-yl]benzonitrile [ No CAS ]

References: [1]Patent: WO2018/89433,2018,A1 .

16
[ 167300-06-3 ]
2-{4-[3-(chloromethyl)-4-methylbenzoyl]piperazin-1-yl}benzonitrile [ No CAS ]

References: [1]Patent: WO2018/89433,2018,A1 .

17
[ 167300-06-3 ]
5-[4-(2-cyanophenyl)piperazine-1-carbonyl]-2-methylbenzoic acid [ No CAS ]

References: [1]Patent: WO2018/89433,2018,A1 .

Historical Records

Technical Information

• Acyl Group Substitution • Alkyl Halide Occurrence • Arndt-Eistert Homologation • Bouveault-Blanc Reduction • Catalytic Hydrogenation • Complex Metal Hydride Reductions • Ester Cleavage • Hunsdiecker-Borodin Reaction • Passerini Reaction • Preparation of Amines • Preparation of Carboxylic Acids • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Carboxylic Acids • Reactions with Organometallic Reagents • Schmidt Reaction • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Specialized Acylation Reagents-Ketenes • Ugi Reaction

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[ 167300-06-3 ]

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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.: 167300-06-3

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