[ CAS No. 76095-16-4 ] {[proInfo.proName]}

Name: 76095-16-4|(S)-1-((S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)pyrrolidine-2-carboxylic acid Maleate|98%
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Quality Control of [ 76095-16-4 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 76095-16-4 ]

Product Details of [ 76095-16-4 ]

CAS No. :	76095-16-4	MDL No. :	MFCD00133304
Formula :	C₂₄H₃₂N₂O₉	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OYFJQPXVCSSHAI-QFPUQLAESA-N
M.W :	492.52	Pubchem ID :	5388961
Synonyms :	MK-421 maleate;Enalapril (maleate)	Chemical Name :	(S)-1-((S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)pyrrolidine-2-carboxylic acid Maleate

Calculated chemistry of [ 76095-16-4 ]

Physicochemical Properties

Num. heavy atoms :	35
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.46
Num. rotatable bonds :	13
Num. H-bond acceptors :	10.0
Num. H-bond donors :	4.0
Molar Refractivity :	129.07
TPSA :	170.54 Å²

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-9.67 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.64
Log Po/w (XLOGP3) :	-0.51
Log Po/w (WLOGP) :	0.94
Log Po/w (MLOGP) :	0.49
Log Po/w (SILICOS-IT) :	2.22
Consensus Log Po/w :	1.35

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	2.0
Egan :	1.0
Muegge :	1.0
Bioavailability Score :	0.11

Water Solubility

Log S (ESOL) :	-1.84
Solubility :	7.1 mg/ml ; 0.0144 mol/l
Class :	Very soluble
Log S (Ali) :	-2.6
Solubility :	1.23 mg/ml ; 0.00249 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.7
Solubility :	0.0976 mg/ml ; 0.000198 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.22

Safety of [ 76095-16-4 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 76095-16-4 ]

* 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.

Upstream synthesis route of [ 76095-16-4 ]
Downstream synthetic route of [ 76095-16-4 ]

[ 76095-16-4 ] Synthesis Path-Upstream 1~13

1
[ 75847-73-3 ]
[ 110-16-7 ]
[ 76095-16-4 ]

Reference： [1] Patent: US6335453, 2002, B1, . Location in patent: Example 14
[2] Patent: US6335453, 2002, B1, . Location in patent: Example 1
[3] Patent: US6335453, 2002, B1, . Location in patent: Example 5
[4] Patent: US6335453, 2002, B1, . Location in patent: Example 2
[5] Patent: US6335453, 2002, B1, . Location in patent: Example 3
[6] Patent: US6335453, 2002, B1, . Location in patent: Example 4
[7] Chemical and Pharmaceutical Bulletin, 1986, vol. 34, # 7, p. 2852 - 2858
[8] Patent: WO2004/101515, 2004, A1, . Location in patent: Page 9
[9] Patent: WO2014/202659, 2014, A1, . Location in patent: Page/Page column 21

2
[ 110-16-7 ]
[ 147-85-3 ]
[ 406213-94-3 ]
[ 76095-16-4 ]

Reference： [1] Organic letters, 2002, vol. 4, # 23, p. 4005 - 4008

3
[ 288-32-4 ]
[ 7732-18-5 ]
[ 877932-98-4 ]
[ 110-16-7 ]
[ 76095-16-4 ]

Reference： [1] Patent: US5789597, 1998, A,

4
[ 82717-96-2 ]
[ 76095-16-4 ]

Reference： [1] Organic letters, 2002, vol. 4, # 23, p. 4005 - 4008

5
[ 103377-40-8 ]
[ 76095-16-4 ]

Reference： [1] Organic letters, 2002, vol. 4, # 23, p. 4005 - 4008

6
[ 64920-29-2 ]
[ 76095-16-4 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1986, vol. 34, # 7, p. 2852 - 2858

7
[ 80828-26-8 ]
[ 76095-16-4 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1986, vol. 34, # 7, p. 2852 - 2858
[2] Patent: WO2014/202659, 2014, A1,

8
[ 82009-36-7 ]
[ 110-16-7 ]
[ 76095-16-4 ]
[ 76095-16-4 ]

Reference： [1] Journal of Organic Chemistry, 1984, vol. 49, # 15, p. 2816 - 2819

9
[ 2812-46-6 ]
[ 76095-16-4 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1986, vol. 34, # 7, p. 2852 - 2858

10
[ 80828-38-2 ]
[ 76095-16-4 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1986, vol. 34, # 7, p. 2852 - 2858

11
[ 108428-39-3 ]
[ 76095-16-4 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1986, vol. 34, # 7, p. 2852 - 2858

12
[ 16652-71-4 ]
[ 76095-16-4 ]

Reference： [1] Patent: WO2014/202659, 2014, A1,

13
[ 120924-94-9 ]
[ 76095-16-4 ]

Reference： [1] Patent: WO2014/202659, 2014, A1,

[ 76095-16-4 ] Synthesis Path-Downstream 1~20

1
[ 76095-16-4 ]
[ 76420-72-9 ]

Reference： [1]Journal of Organic Chemistry,1984,vol. 49,p. 2816 - 2819
[2]European Journal of Pharmacology,2006,vol. 537,p. 31 - 36

2
[ 75847-73-3 ]
[ 110-16-7 ]
[ 76095-16-4 ]

Yield	Reaction Conditions	Operation in experiment
	In ethyl acetate; for 0.5h;	2,9 mi triethylamine was added to the mixture of 2,79 g of 1- ( (S)-N- (1- (ethoxycarbonyl)-3-phenylpropyl)-L-alanine and 1,15 g of L-proline in 100 ml of acetonitrile and 5 ml DMF and during stirring 3,8 g 0- (BENZOTRIAZOL-1-YL)-N, N, N', N'- tetramethyluronium hexafluorophosphate was added. The reaction mixture was stirred for further 30 minutes at room temperature. 300 ml of saturated NACI solution was added and the mixture was extracted twice with 100 mi of ethyl acetate. Combined extracts were washed with 70 ml of water/1 ml of conc. HCI mixture and then with 130 ml of water, dried with NA2SO4 and evaporated at 40 C in vacuum. 3,55 g of enalapril was obtained. The intermediate was dissolved in 100 ml of ethyl acetate, then a solution of 1,00 g of maleic acid in 50 mi of ethyl acetate was added and after 30 minutes of stirring ENALAPRIL maleate is filtered off, dried in vacuum at 40 C obtaining 4,2 g of product (85,4%).
	In tert-butyl methyl ether; acetonitrile; at 20℃;	The crude Enalapril-benzylester (Ilib, R=Bn) obtained from example 4 washydrogenated at 152O0C in 30 ml of methanol with a 5% Pd on charcoal catalyst (ca.100 mg) at atmospheric pressure (balloon). After complete consumption of the starting material, as detected by LC-MS, the catalyst was filtered off and the solvent was evaporated. The resulting colorless solid foam was combined with one equivalent of maleic acid (0.817 g, 7.039 mmol) and dissolved in 7 ml of acetonitrile. This solutionwas treated with MTBE until it became slightly turbid and then was allowed to stand at room temperature. After a while the product crystallized as fine needles. The yield of pure Enalapril (lVb)-maleate was 3.25 g (91%). LC-MS purity 99.5% peak area, MH+ 377. H NMR data as measured in the same solvent (DMSO-d6) were in accord with the reported data by Hitoshi Kubota et al., Chem.Pharm.Bull., 39(6), 1374-1 377 (1991),except for the singulett signal of two protons at 6.10 ppm (maleic acid) which were omitted in this publication.1H NMR (2 rotamers): 1.24 (t, 3H, OCH2CH3), 1.32,1.37 (2d, 3H, Me), 1.80-2.30 (m, 6H),2.50-2.80 (m, 2H), 3.28-4.25 (m, 7H), 4.30, 4.60 (2m, 1H), 6.10 (5, 2H, maleate), 7.11 (m, 3H, Ar-H), 3.30 (m, 2H, Ar-H).

Reference： [1]Patent: US6335453,2002,B1 .Location in patent: Example 14
[2]Patent: US6335453,2002,B1 .Location in patent: Example 1
[3]Patent: US6335453,2002,B1 .Location in patent: Example 5
[4]Patent: US6335453,2002,B1 .Location in patent: Example 2
[5]Patent: US6335453,2002,B1 .Location in patent: Example 3
[6]Patent: US6335453,2002,B1 .Location in patent: Example 4
[7]Chemical and Pharmaceutical Bulletin,1986,vol. 34,p. 2852 - 2858
[8]Patent: WO2004/101515,2004,A1 .Location in patent: Page 9
[9]Patent: WO2014/202659,2014,A1 .Location in patent: Page/Page column 21

3
[ 82009-36-7 ]
[ 110-16-7 ]
[ 76095-16-4 ]
[ 76095-16-4 ]

Reference： [1]Journal of Organic Chemistry,1984,vol. 49,p. 2816 - 2819

5
[ 110-16-7 ]
[ 147-85-3 ]
[ 406213-94-3 ]
[ 76095-16-4 ]

Reference： [1]Organic letters,2002,vol. 4,p. 4005 - 4008

6
[ 82717-96-2 ]
[ 76095-16-4 ]

Reference： [1]Organic letters,2002,vol. 4,p. 4005 - 4008

7
[ 103377-40-8 ]
[ 76095-16-4 ]

Reference： [1]Organic letters,2002,vol. 4,p. 4005 - 4008

8
[ 64920-29-2 ]
[ 76095-16-4 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1986,vol. 34,p. 2852 - 2858

9
[ 2812-46-6 ]
[ 76095-16-4 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1986,vol. 34,p. 2852 - 2858

10
[ 80828-38-2 ]
[ 76095-16-4 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1986,vol. 34,p. 2852 - 2858

11
[ 108428-39-3 ]
[ 76095-16-4 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1986,vol. 34,p. 2852 - 2858

12
[ 80828-26-8 ]
[ 76095-16-4 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1986,vol. 34,p. 2852 - 2858
[2]Patent: WO2014/202659,2014,A1

Yield	Reaction Conditions	Operation in experiment
90.73%		Enalapril maleate (11.2 g; 90.73%) was obtained.
		REFERENCE EXAMPLE 4 [Preparation of enalapril maleate] To the oily EPL obtained in Example 4, 3.4 ml of acetonitrile was added and the mixture was heated to 70 C., to which a solution of 334 mg of maleic acid dissolved in 5 ml of acetonitrile at 70 C. was added. The reaction mixture was gradually cooled to room temperature and was allowed to stand at 5 C. for one night to deposite crystal. The obtained crystal was filtered off, washed with ether, and dried to give 1.022 g of crude crystal. The obtained crystal and 476 mg of white solid obtained from the filtrate by distilling away the solvent under reduced pressure were recrystallized from acetonitrile to give 1.106 g of EPL as white crystal. Melting point: 145 to 146.5 C. (the value described in the literature: 143 to 144.5 C.). 1 H nuclear magnetic resonance spectrum (D2 O): delta1.30 (t, 3H, J=7Hz), 1.50 to 1.70 (m, 3H), 1.75 to 2.17 (m, 3H), 2.17 to 2.53 (m, 3H), 3.38 to 3.72 m, 2H), 3.77 to 4.07 (m, 1H), 4.07 to 4.55 (m, 4H), 6.29 (s, 2H) and 7.12 to 7.40 (m, 5H). Infrared absorption spectrum (KBr): 3220, 2977, 1745, 1725, 1640, 1570, 1450, 1380, 1238, 1190, 1000, 878 and 700 cm-1 [alpha]D25 =-42.6 (c=1.0, MeOH).
		EXAMPLE 42 N-(1(S)-Ethoxycarbonyl-3-phenylpropyl)-L-alanyl-L-proline maleate salt A solution of N-(1-ethoxycarbonyl-3-phenylpropyl-L-alanyl-L-proline, mixed isomers (13.8 g), in 69 ml of acetonitrile is treated with 4.25 g of maleic acid in 69 ml of acetonitrile. After stirring for 1 hr. at room temperature, the solid is filtered, washed with acetonitrile and air dried to yield 8.4 g of maleate salt, m.p. 141-145, by HPLC ca 96% pure. The crude maleate salt is recrystallized from acetonitrile to yield 7.1 g of N-(1(S)-ethoxycarbonyl-3-phenylpropyl)-L-alanyl-L-proline maleate salt, m.p. 148-150, by HPLC ca 99% pure.

		Examples of Formula II compounds are: ... N-[1-(ethoxycarbonyl)-3-(4-imidazolyl)propyl]-L-alanyl-L-proline. N-[1-carboxy-3-(4-imidazolyl)propyl]-L-lysyl-L-proline; N-(1(S)-carboxy-3-phenylpropyl)-L-alanyl-L-proline; N-(1(S)-ethoxycarbonyl-3-phenylpropyl)-L-alanyl-L-proline; N-(1(S)-ethoxycarbonyl-3-phenylpropyl)-L-alanyl-L-proline maleate salt; N-alpha-(1(S)-carboxy-3-phenylpropyl)-L-lysyl-L-proline; and, ethyl N-(1(S)-ethoxycarbonyl-3-phenylpropyl)-L-alanyl-L-prolinate hydrochloride; N-alpha-(1(S)-ethoxycarbonyl-3-phenylpropyl)-L-lysyl-L-proline.
		(+) or (-)-4-{3-[3-[2-(1-hydroxycyclohexyl)ethyl]-5,5-dideuterio-4-oxo-2-thiazolidinyl]propyl}benzoic acid; and, an antihypertensively effective amount of an antihypertensive compound selected from the group: ... N-[1-(ethoxycarbonyl)-3-(4-imidazolyl)propyl]-L-alanyl-L-proline; N-[1-carboxy-3-(4-imidazolyl)propyl]-L-lysyl-L-proline; N-(1(S)-carboxy-3-phenylpropyl)-L-alanyl-L-proline; N-(1(S)-ethoxycarbonyl-3-phenylpropyl)-L-alanyl-L-proline; N-(1(S)-ethoxycarbonyl-3-phenylpropyl)-L-alanyl-L-proline maleate salt; N-alpha-(1(S)-carboxy-3-phenylpropyl)-L-lysyl-L-proline; and, ethyl N-(1(S)-ethoxycarbonyl-3-phenylpropyl)-L-alanyl-L-prolinate hydrochloride; and, N-alpha-(1(S)-ethoxycarbonyl-3-phenylpropyl)-L-lysyl-L-proline.

14
[ 288-32-4 ]
aqueous sodium chloride [ No CAS ]
silylated L-proline [ No CAS ]
[ 7732-18-5 ]
[ 877932-98-4 ]
[ 110-16-7 ]
[ 76095-16-4 ]

Yield	Reaction Conditions	Operation in experiment
	With thionyl chloride; sodium chloride; In dichloromethane; ethyl acetate;	EXAMPLE 6 A solution of SOCl2 (2.2 ml) in anhydrous methylene chloride (125 ml) (treatment with 96% H2 SO4 and distillation) was prepared. The reaction mixture was cooled to -15 C., imidazole (6.7430 g) was added and the reaction was led according to the following Table 5. The precipitate was filtered off and washed with anhydrous methylene chloride (10 ml). The solution was cooled to -15 C. and N-[1-(S)-ethoxycarbonyl-3-phenyl-propyl]-L-alanine (7 g) was added. The reaction was led according to Table 6. The insoluble particles were filtered off and washed with anhydrous methylene chloride (10 ml). The prepared solution of silylated L-proline was added to the solution. The light yellow solution was stirred at room temperature (21 C.) for 22 hours. The solvent was evaporated to dryness at a temperature of 30-35 C. and saturated aqueous sodium chloride solution (50 ml H2 O and 17 g NaCl) and ethyl acetate (25 ml) (pH 5.08) were added to the residue. It was acidified to pH 4.22 with concentrated hydrochloric acid. The aqueous phase and ester phase were separated and the aqueous phase was washed with ethylacetate (215 ml), the organic phases were combined and dried with anhydrous sodium sulfate. It was filtered and washed with ethyl acetate (215 ml). Maleic acid (3 g) was added to the solution and enalapril maleate precipitated. The reaction mixture was stirred for another 15 minutes at room temperature, then it was cooled to -25 C. and after 15 minutes at this temperature the precipitate was filtered and washed with ethyl acetate (10 ml).

Reference： [1]Patent: US5789597,1998,A

Yield	Reaction Conditions	Operation in experiment
		The desired product, N-[1-(S)-ethoxycarbonyl-3-phenylpropyl]-L-alanyl-L-proline, is crystallized as its maleate salt by addition of 1.86 g. of maleic acid. After stirring for 4 hours, the salt is filtered, washed with ethyl acetate and dried to afford 5.2 g. of pure product, m.p. 150-151 C.

Yield	Reaction Conditions	Operation in experiment
		EXAMPLE 2 N-(1-Carboethxy-3-Phenylpropyl)-L-Alanyl-L-Proline or Its Maleate Salt. The diester of Example 1 (0.508 g; 1.26 mmol) was combined with hydrogen bromide-saturated (32%) acetic acid (10 ml) and concentrated aqueous hydrobromic acid (2.5 ml), and the resulting solution was stirred vigorously for 48 hours. The solution was concentrated and then reconcentrated several times from H2 O. The oily residue was placed onto a column of DOWEX 50W-X4 (10 g). After an initial H2 O wash of the resin, the product was eluted with 25:1 H2 O:pyr. Concentration left a colorless oil which TLC (silica gel; 100:20:3:0.5 CHCl3:CH3 OH:H2 O:HOAc) shows to consist of monoester as a mixture (1:1) of diastereomers, Rf=0.65, 0.70, accompanied by a small amount of diacid, Rf=0.2. Medium pressure liquid chromatography on silica gel (E. Merck Lobar column, size A) in 100:20:3:0.5 CHCl3:CH3 OH:H2 O:HOAc provided monoester (0.382 g; 1.02 mmol, 81%) as a mixture (1:1) of diastereomers. NMR (D2 O):1.30, 1.34 (3H, 2t, J=7); 1.53, 1.58 (3H, 2d, J=7); 1.8-2.0 (2H, m); 2.1-2.4 (4H, m): 2.7-3.0 (2H, m); 3.3-3.7 (2H, m); 3.8-4.2 (2H, m); 4.2-4.4 (3H, m); 7.3-7.5 (5H, m). IR (CHCl3): 3500-2500, 2960, 1720, 1640, 1430 cm-1. Ms (FAB): m/e 377 (M+ +1). Separation of diastereomers was achieved by reverse-phase HPLC. Alternatively, separation can be achieved by treatment of a solution of the 1:1 mixture of isomers in acetonitrile solution with an acetonitrile solution containing a half-molar equivalent of maleic acid. After stirring for one hour at room temperature, the solid was collected and rinsed with acetonitrile and air-dried to yield maleate salt, by HPLC Ca. 96% pure. The crude maleate salt was recrystallized from acetonitrile to yield N-(1-(S)-ethoxycarbonyl-3-phenylpropyl)-L-alanyl-L-proline maleate salt, m.p. 148-150 C., by HPLC ca. 99% pure, [alpha]D25 =-42(CH3 OH).

17
[ 76095-16-4 ]
[ 256510-64-2 ]
[ 76420-72-9 ]

Reference： [1]Journal of Mass Spectrometry,2011,vol. 46,p. 1269 - 1273

18
[ 16652-71-4 ]
[ 76095-16-4 ]

Reference： [1]Patent: WO2014/202659,2014,A1

19
[ 120924-94-9 ]
[ 76095-16-4 ]

Reference： [1]Patent: WO2014/202659,2014,A1

20
[ 76095-16-4 ]
N-[(S)-ethoxycarbonyl-3-cyclohexylpropyl]-L-alanyl-L-proline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
30%	With platinum(IV) oxide; hydrogen; acetic acid; In ethanol; at 25℃; under 1292.9 - 1551.49 Torr; for 96h;	(1) 10 g of enalapril maleate was dissolved in 100 mL of absolute ethanol,Then, 50 mL of glacial acetic acid and 2.0 g of PtO2 were added,After replacing the nitrogen gas three times,Hydrogen,The hydrogen pressure was controlled at 25-30 psi,The reaction temperature was 25 C,Reaction time is 96h,LCMS (214 nm wavelength) monitoring reaction,42% product formation,The remaining 28% of raw materials;(2) The reaction solution obtained in the step (1) is filtered,The filtrate was concentrated under reduced pressure,Concentration temperature does not exceed 35 ,The concentrate was then isolated by HPLC,To the purified material was added 10 mL of hydrochloric acid at a concentration of 1 mol / L,Dried in vacuo to give 2.6 g of a light yellow solid,The yield was 30%The purity was 95.0%

Reference： [1]Patent: CN106220545,2016,A .Location in patent: Paragraph 0061; 0062; 0063; 0065; 0066; 0067

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[ 76095-16-4 ]

A209253[ 75847-73-3 ]

(S)-1-((S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)pyrrolidine-2-carboxylic acid

Reason: Free-salt

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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

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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

[ CAS No. 76095-16-4 ] {[proInfo.proName]}

Quality Control of [ 76095-16-4 ]

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[ 76095-16-4 ] Synthesis Path-Upstream 1~13

[ 76095-16-4 ] Synthesis Path-Downstream 1~20

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