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73791-45-4

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Basic Information
CAS No.: 73791-45-4
Name: Methylpropylarsinic acid
Molecular Structure:
Molecular Structure of 73791-45-4 (Methylpropylarsinic acid)
Formula: C4H11AsO2
Molecular Weight: 166.052
Synonyms: Arsine oxide,hydroxymethylpropyl;Methyl-propyl-arsinsaeure;Methylpropylarsinic acid;
Density: g/cm3
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 Methylpropylarsinic acid (CAS NO.73791-45-4):

IUPAC Name: Methyl(propyl)arsinic 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: 89.7
Canonical SMILES: CCC[As](=O)(C)O
InChI: InChI=1S/C4H11AsO2/c1-3-4-5(2,6)7/h3-4H2,1-2H3,(H,6,7)
InChIKey of Methylpropylarsinic acid (CAS NO.73791-45-4): BSFPFOQSGBQFMD-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#01191 .

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

 Methylpropylarsinic acid (CAS NO.73791-45-4) is also named as 3-04-00-01820 (Beilstein Handbook Reference) ; BRN 1700239 ; Arsine oxide, hydroxymethylpropyl- .