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Basic Information
CAS No.: 71073-91-1
Name: prop-2-enoic acid - trichloroacetic acid (1:1)
Molecular Structure:
Molecular Structure of 71073-91-1 (prop-2-enoic acid - trichloroacetic acid (1:1))
Formula: C2HCl3O2•3/2 C3H4O2
Molecular Weight: 265.49
Density: g/cm3
Boiling Point: 196.5°Cat760mmHg
Flash Point: 66.3°C
Safety: Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl−.
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Chemistry

The Molecular Structure of Acetic acid, trichloro-, telomer with 2-propenoic acid (CAS NO.71073-91-1):
Molecular Formula: C5H5Cl3O4
Molecular Weight: 235.449800 g/mol
Classification: Drug / Therapeutic Agent 
IUPAC: prop-2-enoic acid; 2,2,2-trichloroacetic acid
Nominal Mass: 234 Da
Average Mass: 235.4498 Da
Monoisotopic Mass: 233.925342 Da
ACD/LogP: 1.67
ACD/LogD (pH 5.5): -2.07
ACD/LogD (pH 7.4): -2.08
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
Polar Surface Area: 26.3Å2
Flash Point: 66.3 °C
Enthalpy of Vaporization: 47.69 kJ/mol
Boiling Point: 196.5 °C at 760 mmHg
Vapour Pressure: 0.17 mmHg at 25°C
Smiles:C(C(Cl)(Cl)Cl)(=O)O.C(C=C)(=O)O

Toxicity Data With Reference

1.    

orl-mus LD50:2750 mg/kg

     EJMCA5    European Journal of Medicinal Chemistry. Chimie Therapeutique. 14 (1979),119.
2.    

ipr-mus LD50:300 mg/kg

     EJMCA5    European Journal of Medicinal Chemistry. Chimie Therapeutique. 14 (1979),119.

Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of Cl−.

Specification

 Acetic acid, trichloro-, telomer with 2-propenoic acid (CAS NO.71073-91-1) is also called as 2-Propenoic acid, telomer with trichloroacetic acid .