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21905-27-1

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Basic Information
CAS No.: 21905-27-1
Name: Allylphenylarsinic acid
Molecular Structure:
Molecular Structure of 21905-27-1 (Allylphenylarsinic acid)
Formula: C9H11 As O2
Molecular Weight: 226.12
Synonyms: Allyl phenyl arsinic acid;ARSINE OXIDE,ALLYLHYDROXYPHENYL;Allylhydroxyphenylarsine oxide;
Density: g/cm3
Boiling Point: 368.8°Cat760mmHg
Flash Point: 167.5°C
Safety: Poison by intravenous route. When heated to decomposition it emits toxic fumes of As.
PSA: 37.30000
LogP: 0.94460
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Chemistry

The Molecular Structure of Allylhydroxyphenylarsine oxide (CAS NO.21905-27-1):
Molecular Formula: C9H11AsO2
Molecular Weight: 226.104040 g/mol
Nominal Mass: 226 Da
Average Mass: 226.104 Da
Monoisotopic Mass: 225.997502 Da 
IUPAC: phenyl(prop-2-enyl)arsinic acid
Description: Tumorigen
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 0.55
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 5.5): 1.22
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 30.79
ACD/KOC (pH 7.4): 1
Polar Surface Area: 26.3Å2 
Flash Point: 167.5 °C
Enthalpy of Vaporization: 64.93 kJ/mol
Boiling Point: 368.8 °C at 760 mmHg
Vapour Pressure: 4.34E-06 mmHg at 25°C

Toxicity Data With Reference

1.    

ivn-mus LD50:100 mg/kg

     CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#06910 .

Safety Profile

Poison by intravenous route. When heated to decomposition it emits toxic fumes of As.

Standards and Recommendations

OSHA PEL: TWA 0.5 mg(As)/m3

Specification

 Allylhydroxyphenylarsine oxide (CAS NO.21905-27-1) is also called as Allyl phenyl arsinic acid ; Arsine oxide, allylhydroxyphenyl- .