Acetic acid,2,2-dichloro-, ethyl ester

Details:

1.Introduction of 535-15-9

Acetic acid,2,2-dichloro-, ethyl ester has the CAS registry number of 535-15-9. It is a kind of colorless liquid, with the boiling point of 151.1 °C. It has synonyms of
RARECHEM AL BI 0385, Aceticacid,dichloro-,ethylester, dichloro-aceticaciethylester, ethanoicacid,dichloro-,ethylester, ethyl 2,2-dichloroacetate, Ethyl dichloroethanoate, dichloroacetic acid ethyl ester, ethyl dichloroacetate. It belongs to product categories of C2 to C5, carbonyl compounds, esters.

2.Properties of 535-15-9

ACD/LogP: 1.51
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1.51
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 5.5): 8.28
ACD/BCF (pH 7.4): 8.28
ACD/KOC (pH 5.5): 157.97
ACD/KOC (pH 7.4): 157.97
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
Polar Surface Area: 26.3?²
Index of Refraction: 1.441
Molar Refractivity: 32.012 cm³
Molar Volume: 121.191 cm³
Polarizability: 12.691 10-24cm³
Surface Tension: 32.9199981689453 dyne/cm
Density: 1.295 g/cm³
Flash Point: 55.607 °C
Enthalpy of Vaporization: 38.796 kJ/mol
Boiling Point: 151.098 °C at 760 mmHg
Vapour Pressure: 3.72399997711182 mmHg at 25°C

3.Structure Descriptors of 535-15-9

(1)InChI: InChI=1S/C4H6Cl2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
(2)InChIKey: IWYBVQLPTCMVFO-UHFFFAOYSA-N
(3)Canonical SMILES : CCOC(=O)C(Cl)Cl

4.Safety Information of 535-15-9

Hazard Codes: Xn
Risk Statements: 20/21-36/37
Safety Statements: 23-26-36
RIDADR: UN 2810 6.1/PG 3
WGK Germany: 3