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4964-27-6

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Basic Information
CAS No.: 4964-27-6
Name: Diethylarsinic acid
Molecular Structure:
Molecular Structure of 4964-27-6 (Diethylarsinic acid)
Formula: C4H11AsO2
Molecular Weight: 166.052
Synonyms: Diaethylarsinigsaeure;Diethyl arsinic acid;Diethyl-arsinsaeure;Diethylhydroxy arsine oxide;Diaethylarsinsaeure;Arsinic acid,diethyl;diethylarsenic acid;Arsinic acid,diethyl-(9CI);ARSINE OXIDE,DIETHYLHYDROXY;
Density: g/cm3
Melting Point: 133-134 °C
Boiling Point: 268.5°Cat760mmHg
Flash Point: 121.3°C
Safety: Poison by intravenous route. When heated to decomposition it emits toxic fumes of As.
PSA: 37.30000
LogP: 0.89120
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Chemistry

Molecule structure of Diethyl arsinic acid (CAS NO.4964-27-6):

IUPAC Name: Diethylarsinic acid 
Molecular Weight: 166.05054 g/mol
Molecular Formula: C4H11AsO2
Boiling Point: 268.5 °C at 760 mmHg
Flash Point: 121.3 °C
Enthalpy of Vaporization: 58.82 kJ/mol
Vapour Pressure: 0.00103 mmHg at 25 °C 
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 165.997501
MonoIsotopic Mass: 165.997501
Topological Polar Surface Area: 37.3
Heavy Atom Count: 7
Complexity: 81.7
Canonical SMILES: CC[As](=O)(CC)O
InChI: InChI=1S/C4H11AsO2/c1-3-5(6,7)4-2/h3-4H2,1-2H3,(H,6,7)
InChIKey of Diethyl arsinic acid (CAS NO.4964-27-6): JJABJBOSZVTCOY-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ivn-mus LD50:180 mg/kg

     CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#03818 .

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

 Diethyl arsinic acid (CAS NO.4964-27-6) is also named as 3-04-00-01819 (Beilstein Handbook Reference) ; BRN 1743728 ; Diethylhydroxy arsine oxide ; Arsine oxide, diethylhydroxy- ; Arsinic acid, diethyl- (9CI) .