Product Name

  • Name

    Vinyl chloroacetate

  • EINECS 219-834-3
  • CAS No. 2549-51-1
  • Article Data14
  • CAS DataBase
  • Density 1.153 g/cm3
  • Solubility Insoluble in water
  • Melting Point -68oC
  • Formula C4H5ClO2
  • Boiling Point 123.7 °C at 760 mmHg
  • Molecular Weight 120.535
  • Flash Point 39 °C
  • Transport Information UN 2589
  • Appearance colourless liquid
  • Safety 26-36/37/39-45
  • Risk Codes 10-20/21/22-34
  • Molecular Structure Molecular Structure of 2549-51-1 (Vinyl chloroacetate)
  • Hazard Symbols CorrosiveC
  • Synonyms Aceticacid, chloro-, ethenyl ester (9CI);Acetic acid, chloro-, vinyl ester(6CI,8CI);Vinyl monochloroacetate;
  • PSA 26.30000
  • LogP 0.91190

Synthetic route

chloroacetic acid
79-11-8

chloroacetic acid

acetylene
74-86-2

acetylene

vinyl chloroacetate
2549-51-1

vinyl chloroacetate

Conditions
ConditionsYield
With mercury(II) diacetate; boric acid at 10 - 20℃;
With hydroquinone; mercury(II) oxide at 60℃; dann bei 40-50grad;
With mercury(II) oxide
divinylmercury
1119-20-6

divinylmercury

chloroacetic acid
79-11-8

chloroacetic acid

vinyl chloroacetate
2549-51-1

vinyl chloroacetate

Conditions
ConditionsYield
for 1h; Ambient temperature;
chloroacetyl chloride

chloroacetyl chloride

2-chloromercurio-acetaldehyde

2-chloromercurio-acetaldehyde

vinyl chloroacetate
2549-51-1

vinyl chloroacetate

Conditions
ConditionsYield
With benzene
octanol
111-87-5

octanol

vinyl chloroacetate
2549-51-1

vinyl chloroacetate

n-octyl chloroacetate
5451-98-9

n-octyl chloroacetate

Conditions
ConditionsYield
With Cp*2Sm(THF)2 In toluene Ambient temperature; further reagent: SmI2;99%
With 1,3-dichlorotetrabutyldistannoxane at 50℃; for 17h;96%
With 1,3-dichlorotetrabutyldistannoxane at 50℃; for 17h;96%
vinyl chloroacetate
2549-51-1

vinyl chloroacetate

1-phenyl-2-cyclohex-2-en-1-ol
60174-90-5

1-phenyl-2-cyclohex-2-en-1-ol

(R)-3-phenylcyclohex-2-enyl chloroacetate

(R)-3-phenylcyclohex-2-enyl chloroacetate

Conditions
ConditionsYield
With Candida antartica lipase B (CAL-B) immobilized on a support (commercial name: Chirazyme L-2 C4); V-MPS4 In acetonitrile at 35℃; for 24h; Inert atmosphere;99%
vinyl chloroacetate
2549-51-1

vinyl chloroacetate

6-Azauridine
54-25-1

6-Azauridine

6-azauridine 5'-chloroacetate

6-azauridine 5'-chloroacetate

Conditions
ConditionsYield
With Candida antarctica lipase B In 2,2,4-trimethylpentane; acetone at 55℃; for 1h; Enzymatic reaction; regioselective reaction;99%
vinyl chloroacetate
2549-51-1

vinyl chloroacetate

thexyldimethylsilyl 6-O-acetyl-β-D-galactopyranosyl-(1->3)-6-O-acetyl-2-azido-2-deoxy-β-D-glucopyranoside
320351-47-1

thexyldimethylsilyl 6-O-acetyl-β-D-galactopyranosyl-(1->3)-6-O-acetyl-2-azido-2-deoxy-β-D-glucopyranoside

Chloro-acetic acid (2R,3R,4S,5R,6R)-6-acetoxymethyl-2-{(2R,3S,4R,5R,6S)-2-acetoxymethyl-5-azido-6-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-3-hydroxy-tetrahydro-pyran-4-yloxy}-4,5-dihydroxy-tetrahydro-pyran-3-yl ester

Chloro-acetic acid (2R,3R,4S,5R,6R)-6-acetoxymethyl-2-{(2R,3S,4R,5R,6S)-2-acetoxymethyl-5-azido-6-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-3-hydroxy-tetrahydro-pyran-4-yloxy}-4,5-dihydroxy-tetrahydro-pyran-3-yl ester

Conditions
ConditionsYield
With Candida antarctica lipase In acetonitrile at 40℃; for 12h; Acylation;91%
vinyl chloroacetate

vinyl chloroacetate

thexyldimethylsilyl 6-O-acetyl-β-D-galactopyranosyl-(1->3)-2-azido-2-deoxy-β-D-glucopyranoside
320351-46-0

thexyldimethylsilyl 6-O-acetyl-β-D-galactopyranosyl-(1->3)-2-azido-2-deoxy-β-D-glucopyranoside

Chloro-acetic acid (2R,3S,4R,5R,6S)-4-((2R,3R,4S,5R,6R)-6-acetoxymethyl-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-5-azido-6-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-3-hydroxy-tetrahydro-pyran-2-ylmethyl ester

Chloro-acetic acid (2R,3S,4R,5R,6S)-4-((2R,3R,4S,5R,6R)-6-acetoxymethyl-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-5-azido-6-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-3-hydroxy-tetrahydro-pyran-2-ylmethyl ester

Conditions
ConditionsYield
With Candida antarctica lipase In acetonitrile at 28℃; for 4h; Acylation;90%
vinyl chloroacetate
2549-51-1

vinyl chloroacetate

(3S,5S)-1-ethynyl-3,5-dihydroxy-2-methylcyclohex-1-ene
169437-96-1

(3S,5S)-1-ethynyl-3,5-dihydroxy-2-methylcyclohex-1-ene

A

Chloro-acetic acid (1S,5S)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-enyl ester

Chloro-acetic acid (1S,5S)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-enyl ester

B

Chloro-acetic acid (1S,5S)-3-ethynyl-5-hydroxy-2-methyl-cyclohex-2-enyl ester

Chloro-acetic acid (1S,5S)-3-ethynyl-5-hydroxy-2-methyl-cyclohex-2-enyl ester

Conditions
ConditionsYield
In tetrahydrofuran for 23h; Ambient temperature; Chromobacterium viscosum lipase;A 86%
B 7 % Spectr.
vinyl chloroacetate
2549-51-1

vinyl chloroacetate

(3R,5R)-1-ethynyl-3,5-dihydroxy-2-methylcyclohex-1-ene
169437-97-2

(3R,5R)-1-ethynyl-3,5-dihydroxy-2-methylcyclohex-1-ene

A

Chloro-acetic acid (1R,5R)-5-(2-chloro-acetoxy)-3-ethynyl-2-methyl-cyclohex-2-enyl ester

Chloro-acetic acid (1R,5R)-5-(2-chloro-acetoxy)-3-ethynyl-2-methyl-cyclohex-2-enyl ester

B

Chloro-acetic acid (1R,5R)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-enyl ester

Chloro-acetic acid (1R,5R)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-enyl ester

C

Chloro-acetic acid (1R,5R)-3-ethynyl-5-hydroxy-2-methyl-cyclohex-2-enyl ester

Chloro-acetic acid (1R,5R)-3-ethynyl-5-hydroxy-2-methyl-cyclohex-2-enyl ester

Conditions
ConditionsYield
In tetrahydrofuran for 92h; Ambient temperature; Chromobacterium viscosum lipase;A 6.5%
B 2.5%
C 85%
2-Hydroxy-1,4-naphthoquinone
83-72-7

2-Hydroxy-1,4-naphthoquinone

vinyl chloroacetate
2549-51-1

vinyl chloroacetate

tert-butylisonitrile
119072-55-8, 7188-38-7

tert-butylisonitrile

2-(tert-butylamino)-3-methylnaptho[2,3-b]furan-4,9-dione

2-(tert-butylamino)-3-methylnaptho[2,3-b]furan-4,9-dione

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane In isopropyl alcohol at 120℃; for 0.166667h; Microwave irradiation;85%
vinyl chloroacetate
2549-51-1

vinyl chloroacetate

vinyl iodoacetate
52590-49-5

vinyl iodoacetate

Conditions
ConditionsYield
With sodium iodide In acetone at 20℃; for 1h;85%
6-Monoacetylated D-glucal
63914-24-9

6-Monoacetylated D-glucal

vinyl chloroacetate
2549-51-1

vinyl chloroacetate

6-O-acetyl-3-O-chloroacetyl-glucal
118356-99-3, 118455-48-4

6-O-acetyl-3-O-chloroacetyl-glucal

Conditions
ConditionsYield
With lipase from Pseudomonas fluorescens In 1,2-dimethoxyethane for 3h; Ambient temperature;83%
vinyl chloroacetate
2549-51-1

vinyl chloroacetate

tert-butylisonitrile
119072-55-8, 7188-38-7

tert-butylisonitrile

4-hydroxy-2H-pyran-2-one

4-hydroxy-2H-pyran-2-one

2-(tert-butylamino)-3-methyl-4H-furo[3,2-c]pyran-4-one

2-(tert-butylamino)-3-methyl-4H-furo[3,2-c]pyran-4-one

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane In isopropyl alcohol at 120℃; for 0.166667h; Microwave irradiation;83%
vinyl chloroacetate
2549-51-1

vinyl chloroacetate

6-O-Benzoyl-D-glucal
58871-05-9

6-O-Benzoyl-D-glucal

6-O-benzoyl-3-O-chloroacetyl-glucal
118357-00-9, 118396-89-7, 126453-38-1

6-O-benzoyl-3-O-chloroacetyl-glucal

Conditions
ConditionsYield
With lipase from Pseudomonas fluorescens In 1,2-dimethoxyethane for 2h; Ambient temperature;82%
Lipase P

Lipase P

6-Monoacetylated D-glucal
63914-24-9

6-Monoacetylated D-glucal

vinyl chloroacetate
2549-51-1

vinyl chloroacetate

6-O-acetyl-3-O-chloroacetyl-glucal
118356-99-3, 118455-48-4

6-O-acetyl-3-O-chloroacetyl-glucal

Conditions
ConditionsYield
In 1,2-dimethoxyethane80%
Lipase P

Lipase P

vinyl chloroacetate
2549-51-1

vinyl chloroacetate

1-O-acetyl-2,6-anhydro-5-deoxy-D-arabino-hex-5-enitol
63914-24-9, 118396-85-3

1-O-acetyl-2,6-anhydro-5-deoxy-D-arabino-hex-5-enitol

6-O-acetyl-3-O-chloroacetyl-galactal
118356-99-3, 118455-48-4

6-O-acetyl-3-O-chloroacetyl-galactal

Conditions
ConditionsYield
In 1,2-dimethoxyethane80%
benzyl 4-O-β-D-galactopyranosyl-β-D-glucopyranoside
18404-72-3

benzyl 4-O-β-D-galactopyranosyl-β-D-glucopyranoside

vinyl chloroacetate
2549-51-1

vinyl chloroacetate

benzyl (6-O-chloroacetyl-β-D-galactopyranosyl)-(1->4)-β-D-glucopyranoside
183296-89-1

benzyl (6-O-chloroacetyl-β-D-galactopyranosyl)-(1->4)-β-D-glucopyranoside

Conditions
ConditionsYield
With lipase from Candida antarctica In tetrahydrofuran at 20℃; for 48h; Acylation; Enzymatic reaction;78%
With immobilized Candida antarctica lipase In tetrahydrofuran at 40℃; for 48h;78%
vinyl chloroacetate
2549-51-1

vinyl chloroacetate

2-benzyloxy-3-pentanol

2-benzyloxy-3-pentanol

(2S,3R)-2-benzyloxy-3-pentyl chloroacetate

(2S,3R)-2-benzyloxy-3-pentyl chloroacetate

Conditions
ConditionsYield
With tert-butyl methyl ether; 4 A molecular sieve; Novo Lipozyme IM-20 for 160h; Ambient temperature;74.7%
vinyl chloroacetate
2549-51-1

vinyl chloroacetate

(3R,5S)-1-ethynyl-3,5-dihydroxy-2-methylcyclohex-1-ene
146728-48-5

(3R,5S)-1-ethynyl-3,5-dihydroxy-2-methylcyclohex-1-ene

A

Chloro-acetic acid (1S,5R)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-enyl ester

Chloro-acetic acid (1S,5R)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-enyl ester

B

Chloro-acetic acid (1R,5S)-3-ethynyl-5-hydroxy-2-methyl-cyclohex-2-enyl ester

Chloro-acetic acid (1R,5S)-3-ethynyl-5-hydroxy-2-methyl-cyclohex-2-enyl ester

Conditions
ConditionsYield
In tetrahydrofuran for 21h; Ambient temperature; Chromobacterium viscosum lipase; Yields of byproduct given;A 71%
B n/a
In tetrahydrofuran for 21h; Ambient temperature; Chromobacterium viscosum lipase; Yield given;A 71%
B n/a
vinyl chloroacetate
2549-51-1

vinyl chloroacetate

(3S,5R)-1-ethynyl-3,5-dihydroxy-2-methylcyclohex-1-ene
113375-51-2

(3S,5R)-1-ethynyl-3,5-dihydroxy-2-methylcyclohex-1-ene

A

Chloro-acetic acid (1R,5S)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-enyl ester

Chloro-acetic acid (1R,5S)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-enyl ester

B

Chloro-acetic acid (1S,5R)-3-ethynyl-5-hydroxy-2-methyl-cyclohex-2-enyl ester

Chloro-acetic acid (1S,5R)-3-ethynyl-5-hydroxy-2-methyl-cyclohex-2-enyl ester

Conditions
ConditionsYield
In tetrahydrofuran at 45℃; for 45h; Chromobacterium viscosum lipase; Yields of byproduct given;A 70%
B n/a
In tetrahydrofuran at 45℃; for 45h; Chromobacterium viscosum lipase; Yield given;A 70%
B n/a
vinyl chloroacetate
2549-51-1

vinyl chloroacetate

thexyldimethylsilyl 6-O-acetyl-β-D-galactopyranosyl-(1->3)-2-azido-2-deoxy-β-D-glucopyranoside
320351-46-0

thexyldimethylsilyl 6-O-acetyl-β-D-galactopyranosyl-(1->3)-2-azido-2-deoxy-β-D-glucopyranoside

A

Chloro-acetic acid (2R,3S,4R,5R,6S)-4-((2R,3R,4S,5R,6R)-6-acetoxymethyl-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-5-azido-6-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-3-hydroxy-tetrahydro-pyran-2-ylmethyl ester

Chloro-acetic acid (2R,3S,4R,5R,6S)-4-((2R,3R,4S,5R,6R)-6-acetoxymethyl-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-5-azido-6-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-3-hydroxy-tetrahydro-pyran-2-ylmethyl ester

B

Chloro-acetic acid (2R,3S,4R,5R,6S)-4-[(2R,3R,4S,5R,6R)-6-acetoxymethyl-3-(2-chloro-acetoxy)-4,5-dihydroxy-tetrahydro-pyran-2-yloxy]-5-azido-6-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-3-hydroxy-tetrahydro-pyran-2-ylmethyl ester

Chloro-acetic acid (2R,3S,4R,5R,6S)-4-[(2R,3R,4S,5R,6R)-6-acetoxymethyl-3-(2-chloro-acetoxy)-4,5-dihydroxy-tetrahydro-pyran-2-yloxy]-5-azido-6-[dimethyl-(1,1,2-trimethyl-propyl)-silanyloxy]-3-hydroxy-tetrahydro-pyran-2-ylmethyl ester

Conditions
ConditionsYield
With Candida antarctica lipase In acetonitrile at 35℃; for 1h; Acylation;A 67%
B 29%
tributylphosphine
998-40-3

tributylphosphine

vinyl chloroacetate
2549-51-1

vinyl chloroacetate

Vinyloxycarbonylmethyl-tributyl-phosphoniumhydroxid

Vinyloxycarbonylmethyl-tributyl-phosphoniumhydroxid

Conditions
ConditionsYield
In diethyl ether at 20℃; for 22.5h; Schlenk technique;63%
In benzene
vinyl chloroacetate
2549-51-1

vinyl chloroacetate

benzyl (6-O-acetyl-β-D-galactopyranosyl)-(1->4)-β-D-glucopyranoside
183296-88-0

benzyl (6-O-acetyl-β-D-galactopyranosyl)-(1->4)-β-D-glucopyranoside

Chloro-acetic acid (2S,3R,4S,5R,6R)-6-acetoxymethyl-2-((2R,3S,4R,5R,6R)-6-benzyloxy-4,5-dihydroxy-2-hydroxymethyl-tetrahydro-pyran-3-yloxy)-4,5-dihydroxy-tetrahydro-pyran-3-yl ester

Chloro-acetic acid (2S,3R,4S,5R,6R)-6-acetoxymethyl-2-((2R,3S,4R,5R,6R)-6-benzyloxy-4,5-dihydroxy-2-hydroxymethyl-tetrahydro-pyran-3-yloxy)-4,5-dihydroxy-tetrahydro-pyran-3-yl ester

Conditions
ConditionsYield
With immobilized Candida antarctica lipase In acetonitrile at 45℃; for 120h;62%
vinyl chloroacetate

vinyl chloroacetate

2-[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-cyclopent-3-enol
606495-99-2

2-[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-cyclopent-3-enol

A

(1S,2R)-2-[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-cyclopent-3-enol
180187-46-6

(1S,2R)-2-[2-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-cyclopent-3-enol

B

Chloro-acetic acid (1R,2S)-2-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-cyclopent-3-enyl ester

Chloro-acetic acid (1R,2S)-2-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-cyclopent-3-enyl ester

Conditions
ConditionsYield
With Lipase PS In di-isopropyl ether at 30℃; for 1h;A 50%
B 46%
vinyl chloroacetate
2549-51-1

vinyl chloroacetate

(Z)-2-phenylbut-2-ene-1,4-diol

(Z)-2-phenylbut-2-ene-1,4-diol

(Z)-4-hydroxy-3-phenylbut-2-en-1-yl chloroacetate

(Z)-4-hydroxy-3-phenylbut-2-en-1-yl chloroacetate

Conditions
ConditionsYield
With Porcine pancreas lipase type II In 1,4-dioxane at 20℃; for 24h; Enzymatic reaction;50%
vinyl chloroacetate
2549-51-1

vinyl chloroacetate

(4-hydroxy-3,4-dihydroquinolin-1(2H)-yl)(phenyl)methanone
24206-41-5

(4-hydroxy-3,4-dihydroquinolin-1(2H)-yl)(phenyl)methanone

A

(R)-1-benzoyl-1,2,3,4-tetrahydroquinolin-4-yl 2-chloroacetate

(R)-1-benzoyl-1,2,3,4-tetrahydroquinolin-4-yl 2-chloroacetate

B

(S)-(4-hydroxy-3,4-dihydroquinolin-1(2H)-yl)(phenyl)methanone

(S)-(4-hydroxy-3,4-dihydroquinolin-1(2H)-yl)(phenyl)methanone

Conditions
ConditionsYield
With Novozyme 435 lipase In tert-butyl methyl ether at 30℃; for 8h; Enzymatic reaction; enantioselective reaction;A 49%
B 34%
vinyl chloroacetate
2549-51-1

vinyl chloroacetate

tert-butyl 6-chloro-4-hydroxy-3,4-dihydroquinoline-1(2H)-carboxylate

tert-butyl 6-chloro-4-hydroxy-3,4-dihydroquinoline-1(2H)-carboxylate

A

(R)-tert-butyl 6-chloro-4-(2-chloroacetoxy)-3,4-dihydroquinoline-1(2H)-carboxylate

(R)-tert-butyl 6-chloro-4-(2-chloroacetoxy)-3,4-dihydroquinoline-1(2H)-carboxylate

B

(S)-tert-butyl 6-chloro-4-hydroxy-3,4-dihydroquinoline-1(2H)-carboxylate

(S)-tert-butyl 6-chloro-4-hydroxy-3,4-dihydroquinoline-1(2H)-carboxylate

Conditions
ConditionsYield
With Novozyme 435 lipase In tert-butyl methyl ether at 30℃; for 8h; Enzymatic reaction; enantioselective reaction;A 42%
B 48%
vinyl chloroacetate
2549-51-1

vinyl chloroacetate

tert-butyl 6-bromo-4-hydroxy-3,4-dihydroquinoline-1(2H)-carboxylate

tert-butyl 6-bromo-4-hydroxy-3,4-dihydroquinoline-1(2H)-carboxylate

A

(R)-tert-butyl 6-bromo-4-(2-chloroacetoxy)-3,4-dihydroquinoline-1(2H)-carboxylate

(R)-tert-butyl 6-bromo-4-(2-chloroacetoxy)-3,4-dihydroquinoline-1(2H)-carboxylate

B

(S)-tert-butyl 6-bromo-4-hydroxy-3,4-dihydroquinoline-1(2H)-carboxylate

(S)-tert-butyl 6-bromo-4-hydroxy-3,4-dihydroquinoline-1(2H)-carboxylate

Conditions
ConditionsYield
With Novozyme 435 lipase In tert-butyl methyl ether at 30℃; for 8h; Enzymatic reaction; enantioselective reaction;A 47%
B 29%
vinyl chloroacetate
2549-51-1

vinyl chloroacetate

phenyl 4-hydroxy-3,4-dihydroquinoline-1(2H)-carboxylate

phenyl 4-hydroxy-3,4-dihydroquinoline-1(2H)-carboxylate

A

(R)-phenyl 4-(2-chloroacetoxy)-3,4-dihydroquinoline-1(2H)-carboxylate

(R)-phenyl 4-(2-chloroacetoxy)-3,4-dihydroquinoline-1(2H)-carboxylate

B

(S)-phenyl 4-hydroxy-3,4-dihydroquinoline-1(2H)-carboxylate

(S)-phenyl 4-hydroxy-3,4-dihydroquinoline-1(2H)-carboxylate

Conditions
ConditionsYield
With Novozyme 435 lipase In tert-butyl methyl ether at 30℃; for 8h; Enzymatic reaction; enantioselective reaction;A 43%
B 46%

Vinyl chloroacetate Specification

The Vinyl chloroacetate with the CAS number 2549-51-1 is also called Acetic acid, 2-chloro-,ethenyl ester. The IUPAC name is ethenyl 2-chloroacetate. Its molecular formula is C4H5ClO2. The EINECS registry number is 219-834-3. This chemical belongs to the following product categories: (1)C2 to C5; (2)Carbonyl Compounds; (3)Esters.

The properties of the chemical are: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 3.17; (6)ACD/BCF (pH 7.4): 3.17; (7)ACD/KOC (pH 5.5): 79.53; (8)ACD/KOC (pH 7.4): 79.53; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.428; (14)Molar Refractivity: 26.92 cm3; (15)Molar Volume: 104.5 cm3; (16)Polarizability: 10.67×10-24cm3; (17)Surface Tension: 29.4 dyne/cm; (18)Enthalpy of Vaporization: 36.17 kJ/mol; (19)Vapour Pressure: 13.2 mmHg at 25°C.

Uses: This chemical can react with octan-1-ol to prepare chloro-acetic acid octyl ester. This reaction needs reagent 1,3-dichlorotetrabutyldistannoxane at temperature of 50°C. The reaction time is 17 hours. The yield is 96%.

While using this chemical, you should be very cautious. This chemical is flammable and harmful by inhalation, in contact with skin and if swallowed. It can cause burns.. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)O\C=C
(2)InChI: InChI=1/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2
(3)InChIKey: XJELOQYISYPGDX-UHFFFAOYAH

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