[ CAS No. 51019-43-3 ] {[proInfo.proName]}

Name: 51019-43-3|(R)-2-Acetoxy-2-phenylacetic acid|98%
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Quality Control of [ 51019-43-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 51019-43-3 ]

SDS Specification

Alternatived Products of [ 51019-43-3 ]

Product Details of [ 51019-43-3 ]

CAS No. :	51019-43-3	MDL No. :	MFCD00004249
Formula :	C₁₀H₁₀O₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	OBCUSTCTKLTMBX-SECBINFHSA-N
M.W :	194.18	Pubchem ID :	2733814
Synonyms :

Calculated chemistry of [ 51019-43-3 ]

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.2
Num. rotatable bonds :	4
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	48.89
TPSA :	63.6 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.48 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.56
Log Po/w (XLOGP3) :	1.41
Log Po/w (WLOGP) :	1.05
Log Po/w (MLOGP) :	1.28
Log Po/w (SILICOS-IT) :	1.16
Consensus Log Po/w :	1.29

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-1.99
Solubility :	2.01 mg/ml ; 0.0103 mol/l
Class :	Very soluble
Log S (Ali) :	-2.35
Solubility :	0.867 mg/ml ; 0.00447 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.9
Solubility :	2.45 mg/ml ; 0.0126 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.17

Safety of [ 51019-43-3 ]

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 [ 51019-43-3 ]

* 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.

Upstream synthesis route of [ 51019-43-3 ]
Downstream synthetic route of [ 51019-43-3 ]

[ 51019-43-3 ] Synthesis Path-Upstream 1~22

1
[ 29071-09-8 ]
[ 7322-88-5 ]
[ 51019-43-3 ]

Reference： [1] Analytical Chemistry, 2009, vol. 81, # 24, p. 10215 - 10226
[2] Patent: WO2010/148191, 2010, A2, . Location in patent: Page/Page column 45-49; 51

2
[ 611-73-4 ]
[ 7322-88-5 ]
[ 51019-43-3 ]

Reference： [1] Advanced Synthesis and Catalysis, 2017, vol. 359, # 20, p. 3665 - 3673
[2] Advanced Synthesis and Catalysis, 2017, vol. 359, # 20, p. 3665 - 3673

3
[ 98-86-2 ]
[ 7322-88-5 ]
[ 51019-43-3 ]

Reference： [1] Advanced Synthesis and Catalysis, 2017, vol. 359, # 20, p. 3665 - 3673
[2] Advanced Synthesis and Catalysis, 2017, vol. 359, # 20, p. 3665 - 3673

4
[ 17199-29-0 ]
[ 75-36-5 ]
[ 7322-88-5 ]
[ 51019-43-3 ]

Reference： [1] Advanced Synthesis and Catalysis, 2017, vol. 359, # 20, p. 3665 - 3673

5
[ 29071-09-8 ]
[ 17199-29-0 ]
[ 51019-43-3 ]

Reference： [1] ACS Catalysis, 2014, vol. 4, # 3, p. 1026 - 1031

6
[ 611-71-2 ]
[ 75-36-5 ]
[ 51019-43-3 ]

Reference： [1] Journal of the American Chemical Society, 1986, vol. 108, # 22, p. 7114 - 7116
[2] Bulletin de la Societe Chimique de France, 1995, vol. 132, # 4, p. 428 - 452
[3] Farmaco, 1995, vol. 50, # 6, p. 455 - 469
[4] Synthesis, 2004, # 13, p. 2173 - 2180
[5] Bulletin de la Societe Chimique de France, 1988, # 4, p. 610 - 617
[6] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1987, p. 601 - 606
[7] Journal of Molecular Catalysis B: Enzymatic, 2010, vol. 66, # 1-2, p. 95 - 100
[8] Journal of Natural Products, 2016, vol. 79, # 7, p. 1783 - 1790

7
[ 568598-79-8 ]
[ 201-68-3 ]
[ 51019-43-3 ]

Reference： [1] Tetrahedron, 2007, vol. 63, # 3, p. 586 - 593

8
[ 29071-09-8 ]
[ 7322-88-5 ]
[ 51019-43-3 ]

Reference： [1] Analytical Chemistry, 2009, vol. 81, # 24, p. 10215 - 10226
[2] Patent: WO2010/148191, 2010, A2, . Location in patent: Page/Page column 45-49; 51

9
[ 118682-57-8 ]
[ 51019-43-3 ]

Reference： [1] Journal of Organic Chemistry, 1989, vol. 54, # 4, p. 994 - 996

10
[ 26059-21-2 ]
[ 51019-43-3 ]

Reference： [1] Journal of Organic Chemistry, 1989, vol. 54, # 4, p. 994 - 996

11
[ 26059-21-2 ]
[ 51019-43-3 ]

Reference： [1] Journal of Organic Chemistry, 1989, vol. 54, # 4, p. 994 - 996

12
[ 1100171-81-0 ]
[ 51019-43-3 ]

Reference： [1] Tetrahedron Letters, 2008, vol. 49, # 52, p. 7398 - 7402

13
[ 121384-01-8 ]
[ 51019-43-3 ]

Reference： [1] Journal of Organic Chemistry, 1989, vol. 54, # 9, p. 2085 - 2091

14
[ 60907-91-7 ]
[ 51019-43-3 ]

Reference： [1] Journal of Organic Chemistry, 1989, vol. 54, # 9, p. 2085 - 2091

15
[ 113565-51-8 ]
[ 51019-43-3 ]

Reference： [1] Journal of Organic Chemistry, 1989, vol. 54, # 9, p. 2085 - 2091

16
[ 611-73-4 ]
[ 7322-88-5 ]
[ 51019-43-3 ]

Reference： [1] Advanced Synthesis and Catalysis, 2017, vol. 359, # 20, p. 3665 - 3673
[2] Advanced Synthesis and Catalysis, 2017, vol. 359, # 20, p. 3665 - 3673

17
[ 98-86-2 ]
[ 7322-88-5 ]
[ 51019-43-3 ]

Reference： [1] Advanced Synthesis and Catalysis, 2017, vol. 359, # 20, p. 3665 - 3673
[2] Advanced Synthesis and Catalysis, 2017, vol. 359, # 20, p. 3665 - 3673

18
[ 119718-89-7 ]
[ 51019-43-3 ]

Reference： [1] Advanced Synthesis and Catalysis, 2006, vol. 348, # 18, p. 2597 - 2603

19
[ 74327-04-1 ]
[ 51019-43-3 ]
[ 85879-96-5 ]

Reference： [1] Tetrahedron Asymmetry, 2009, vol. 20, # 24, p. 2854 - 2860

20
[ 29071-09-8 ]
[ 51019-43-3 ]

Reference： [1] Tetrahedron: Asymmetry, 1995, vol. 6, # 1, p. 43 - 46

21
[ 17199-29-0 ]
[ 75-36-5 ]
[ 7322-88-5 ]
[ 51019-43-3 ]

Reference： [1] Advanced Synthesis and Catalysis, 2017, vol. 359, # 20, p. 3665 - 3673

22
[ 1403830-83-0 ]
[ 51019-43-3 ]
[ 29644-98-2 ]

Reference： [1] Journal of Organic Chemistry, 2013, vol. 78, # 5, p. 1709 - 1717
[2] Journal of Organic Chemistry, 2013, vol. 78, # 5, p. 1709 - 1717

[ 51019-43-3 ] Synthesis Path-Downstream 1~6

1
[ 51019-43-3 ]
[ 49845-69-4 ]

Reference： [1]Journal of the American Chemical Society,1986,vol. 108,p. 7114 - 7116
[2]Justus Liebigs Annalen der Chemie,1959,vol. 622,p. 10,21
[3]Journal of the Chemical Society. Perkin transactions I,1987,p. 601 - 606
[4]Synthesis,2004,p. 2173 - 2180
[5]Bulletin de la Societe Chimique de France,1988,p. 610 - 617
[6]Organic and Biomolecular Chemistry,2011,vol. 9,p. 5778 - 5786
[7]Organic Letters,2012,vol. 14,p. 4886 - 4889
[8]Journal of Natural Products,2016,vol. 79,p. 1783 - 1790

2
[ 14898-79-4 ]
[ 51019-43-3 ]
(R)-Acetoxy-phenyl-acetic acid (R)-sec-butyl ester [ No CAS ]
(1S)-[1-2H₁]butyl (2'R)-2'-acetoxy-2'-phenylethanoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With dmap; dicyclohexyl-carbodiimide In dichloromethane at -30 - -20℃; for 1.5h; Yields of byproduct given. Title compound not separated from byproducts;

Reference： [1]Valentine, Ann M.; Wilkinson, Barrie; Liu, Katherine E.; Komar-Panicucci, Sonja; Priestley, Nigel D.; Williams, Philip G.; Morimoto, Hiromi; Floss, Heinz G.; Lippard, Stephen J. [Journal of the American Chemical Society, 1997, vol. 119, # 8, p. 1818 - 1827]

3
[ 51019-43-3 ]
[ 15996-84-6 ]
[ 581812-92-2 ]
[ 581812-91-1 ]

Yield	Reaction Conditions	Operation in experiment
33%; 36%	With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20℃; for 16h;	DCC (2.35 g, 12.1 mmol) and DMAP (50 mg) were added to a stirred solution of (RS)-117 (2.29 g, 12.1 mmol) and (R)-O-acetylmandelic acid (2.35 g, 12.1 mmol, >99:1 er) in CH2Cl2 (60 mL) at 0 C and the resultant mixture was stirred at rt for 16 h. The reaction mixture was filtered and the filtrate was washed sequentially with 1.0 M aq HCl (40 mL), satd aq NaHCO3 (40 mL) and brine (40 mL), then dried and concentrated in vacuo. Purification via flash column chromatography (eluent 30-40 C petrol/EtOAc, 2:1, 1% Et3N) gave 119 as a white solid (1.58 g, 36%, >99:1 dr); mp 132.5-133.5 C; νmax (ATR) 3292 (N-H), 1742, 1662 (C=O), 1327 (C-F); [α]D20 -153.0 (c 1.0 in MeOH); δH (500 MHz, CDCl3) 1.40 (3H, d, J 7.0, C(α)Me), 2.13 (3H, s, COMe), 4.87 (1H, br s, NH), 5.00 (1H, q, J 7.0, C(α)H), 5.94 (1H, s, C(2)H), 7.33-7.39 (3H, m, C(2')H, C(6')H, Ph), 7.48-7.53 (4H, m, Ph), 7.58 (2H, d, J 8.2, C(3')H, C(5')H); δC (125 MHz, CDCl3) 20.8 (COMe), 22.1 (C(α)Me), 50.0 (C(α)), 77.2 (C(2)), 125.9 (q, J 269.9, CF3), 126.4 (q, J 3.8, C(3'), C(5')), 127.9 (C(2'), C(6')), 128.7 (o-Ph), 129.8 (m-Ph), 130.2 (p-Ph), 130.3 (q, J 31.5, C(4')), 136.8 (i-Ph), 149.5 (C(1')), 171.0 (C(1)), 172.1 (COMe); δF (377 MHz, CDCl3) -63.9 (CF3); m/z (ESI+) 388 ([M+Na]+, 100%); HRMS (ESI+) ([M+Na]+) requires 388.1131; found 388.1122. Further elution gave 118 as a white solid (1.46 g, 33%, >99:1 dr); mp 118-120 C; νmax (ATR) 3291 (N-H), 1744, 1663 (C=O), 1327 (C-F); [α]D20 -17.0 (c 1.0 in MeOH); δH (500 MHz, CDCl3) 1.47 (3H, d, J 7.0, C(α)Me), 2.15 (3H, s, COMe), 4.87 (1H, br s, NH), 5.06 (1H, q, J 7.0, C(α)H), 5.94 (1H, s, C(2)H), 7.24 (2H, d, J 8.4, C(2')H, C(6')H), 7.34-7.38 (3H, m, Ph), 7.44-7.49 (4H, m, C(3')H, C(5')H, Ph); δC (125 MHz, CDCl3) 20.8 (COMe), 22.0 (C(α)Me), 50.0 (C(α)), 77.1 (C(2)), 125.7 (q, J 270.8, CF3), 126.4 (q, J 3.8, C(3'), C(5')), 127.6 (C(2'), C(6')), 128.8 (o-Ph), 129.8 (m-Ph), 130.2 (p-Ph), 130.3 (q, J 32.4, C(4')), 136.7 (i-Ph), 149.5 (C(1')), 170.9 (C(1)), 172.1 (COMe); δF (377 MHz, CDCl3) -63.7 (CF3); m/z (ESI+) 388 ([M+Na]+, 100%); HRMS (ESI+) ([M+Na]+) requires 388.1131; found 388.1120. A 57:43 mixture of 118 and 119, respectively, was also recovered as a white solid (812 mg, 18%).

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 3894 - 3899
[2]Tetrahedron,2016,vol. 72,p. 2139 - 2163

4
[ 29331-92-8 ]
[ 51019-43-3 ]
[ 1335227-37-6 ]

Yield	Reaction Conditions	Operation in experiment
	With dicyclohexyl-carbodiimide;dmap; In dichloromethane; for 1h;Reflux;	Example 1 - Preparation of (10S)-10-[(2R)-(acetyIoxy)(phenyl)ethanoate]-10,ll- dihydro-5H-dibenzo[b,f] azepine -5-carboxamide (VIII)Dichloromethane 2160 ml, 164.96 g (R)-(-)-acetyl mandelic acid, 180 g racemic licarbazepine, 86.48 g 4-dimethylamino pyrimidine and 175.28g dicyclohexylcarbodiimide were mixed in a round bottom flask and the resultant reaction mixture was refluxed for one hour. After completion of reaction the reaction mixture was filtered and the filtrate was -washed with aqueous acetic acid and aqueous sodium bicarbonate solution. The organic layer was collected and it was concentrated. To the residue thus obtained 1620ml of methyl isobutylketone was added. The resultant reaction mixture was heated at 60 - 65 C for one hour and filtered at the same temperature. The solid thus obtained was again purified by. using methyl isobutylketone at 60 - 65 C to get title compound with 97.6% of optical purity.
	With dmap; dicyclohexyl-carbodiimide; In dichloromethane; for 1h;Reflux;	Step-4: Synthesis of compound 4: {00105} Dichloromethane 2160 nil, 164.96 g (R)-(~}~aeet l mandeic acid, 180 g racemic 3, 86.48 g 4-dimethyIamino pyriraidine and l ?5,28g dicydohexy I carbodiimide were mixed in a round bottom flask and the resultant reaction .mixture was refluxed for one hour. After completion of reaction the reaction mixture was filtered and the filtrate was - washed with aqueous acetic acid and aqueous sodium bicarbonate solution. The organic layer was collected and it was concentrated. To the residue thus obtained 1620ml of methyl isobuty'lketone was added. The resultant reaction mixture was heated at 60 - 65 "C for one hour and filtered at the same temperature. The solid thus obtained was again purified by. using methyl isobutylketone at 60 - 65 C to get title compound with 97.6% of optical purity
	With dmap; dicyclohexyl-carbodiimide; In dichloromethane; for 1h;Reflux;	0126) Dichloromethane 2160 ml, 164.96 g (R)-(-)-acetyl mandelic acid, 180 g racemic 3, 86.48 g 4-dimethylamino pyrimidine and 175.28 g dicyclohexylcarbodiimide were mixed in a round bottom flask and the resultant reaction mixture was refluxed for one hour. After completion of reaction the reaction mixture was filtered and the filtrate was washed with aqueous acetic acid and aqueous sodium bicarbonate solution. The organic layer was collected and it was concentrated. To the residue thus obtained 1620 ml of methyl isobutylketone was added. The resultant reaction mixture was heated at 60-65 C. for one hour and filtered at the same temperature. The solid thus obtained was again purified by using methyl isobutylketone at 60-65 C. to get title compound with 97.6% of optical purity.

Reference： [1]Patent: WO2011/117885,2011,A1 .Location in patent: Page/Page column 10
[2]Patent: WO2013/167985,2013,A1 .Location in patent: Paragraph 00104; 00105
[3]Patent: US2016/122332,2016,A1 .Location in patent: Paragraph 0125-0126

5
[ 51019-43-3 ]
[ 33401-74-0 ]
C₂₁H₂₂O₆ [ No CAS ]
C₂₁H₂₂O₆ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: (R)-(-)-O-acetylmandelic acid; ethyl (3R)-3-hydroxy-3-phenylpropionate With dmap In dichloromethane at 0℃; Schlenk technique; Inert atmosphere; Stage #2: With dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 24h; Schlenk technique; Inert atmosphere; Overall yield = 91 %; Optical yield = 76 %ee; enantioselective reaction;

Reference： [1]Savka, Roman; Bergmann, Marvin; Kanai, Yuki; Foro, Sabine; Plenio, Herbert [Chemistry - A European Journal, 2016, vol. 22, # 28, p. 9667 - 9675]

6
[ 42882-31-5 ]
[ 51019-43-3 ]
[ 72407-64-8 ]

Yield	Reaction Conditions	Operation in experiment
95.4%	With lipase Novozym 435; hydrogen; In toluene; at 60℃; under 7500.75 Torr; for 20h;Autoclave; Inert atmosphere;	1000 mL of an autoclave was charged 500 mL of toluene as a solvent, followed by the addition of 85.5 g of 1-naphthylethylamine, 106.7 g of D-(-)-O-acetylmandelic acid, 5g lipase novozym 435 with 7g KT-02, after joining, after the autoclave was sealed, the inside of the autoclave was replaced with nitrogen, Then, hydrogen was introduced into the autoclave at a pressure of 1.0 MPa, stirring was started, and the temperature was raised to 60 C. After 20 hours, sampling detection, 1-naphthylethylamine was completely converted to (R)-(N-(1-naphthyl) ethyl)acetamide, and the product ee value of 99%; After completion of the reaction, the solution was concentrated and then subjected to column chromatography using a mixed solvent of n-hexane and ethanol in a volume ratio of 10: 1 to give pure (R)-(N-(1-naphthyl)ethyl)acetamide 101.6 g, the yield was 95.4%.

Reference： [1]Patent: CN104151171,2016,B .Location in patent: Paragraph 0007-0008

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Ghs Precautionary Statements

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Prevention
Code	Phrase
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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.
P230	Keep wetted
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P234	Keep only in original container.
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Code	Phrase
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P320
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P321
P322
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P350	Gently wash with plenty of soap and water.
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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. 51019-43-3 ] {[proInfo.proName]}

Quality Control of [ 51019-43-3 ]

Related Doc. of [ 51019-43-3 ]

Product Details of [ 51019-43-3 ]

Calculated chemistry of [ 51019-43-3 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 51019-43-3 ]

Application In Synthesis of [ 51019-43-3 ]

[ 51019-43-3 ] Synthesis Path-Upstream 1~22

[ 51019-43-3 ] Synthesis Path-Downstream 1~6

Related Functional Groups of [ 51019-43-3 ]

Aryls

Esters

Carboxylic Acids

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 51019-43-3 ]