Methyl chloroacetate CAS NO.96-34-4

1.Introduction of 96-34-4

Methyl chloroacetate has CAS registry number of 96-34-4. Its synonyms are aceticacid,chloro-,methylester; chloroace

1.Introduction of 96-34-4

Methyl chloroacetate has CAS registry number of 96-34-4. Its synonyms are aceticacid,chloro-,methylester; chloroaceticacidmetylester; chloro-aceticacimethylester; chloroethanoicacid,methylester; ClH2CCOOCH3; ethanoicacid,chloro-,methylester; methyl chloroethanoate; methyl ester of chloroacetic acid.

2.Properties of 96-34-4

ACD/LogP: 0.408
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 0.41
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 5.5): 1.20
ACD/BCF (pH 7.4): 1.20
ACD/KOC (pH 5.5): 39.73
ACD/KOC (pH 7.4): 39.73
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
Polar Surface Area: 26.3?²
Index of Refraction: 1.4
Molar Refractivity: 22.572 cm³
Molar Volume: 92.923 cm³
Polarizability: 8.948 10-24cm³
Surface Tension: 28.4899997711182 dyne/cm
Density: 1.168 g/cm³
Flash Point: 51.667 °C
Enthalpy of Vaporization: 39.23 kJ/mol
Boiling Point: 132.184 °C at 760 mmHg
Vapour Pressure: 8.9680004119873 mmHg at 25°C

3.Structure Descriptors of 96-34-4

(1)InChI: InChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3
(2)InChIKey: QABLOFMHHSOFRJ-UHFFFAOYSA-N
(3)Canonical SMILES: COC(=O)CCl

4.Safety Information of 96-34-4

Hazard Codes: T,Xi,F
Risk Statements: 10-23/25-37/38-41-40-36/37/38
Safety Statements: 26-37/39-45-36-16
RIDADR: UN 2295 6.1/PG 1
WGK Germany: 2
RTECS: AF9500000
F: 19
HazardClass: 6.1
PackingGroup: I
Hazardous Substances Data: 96-34-4(Hazardous Substances Data)