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
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 . |
Poison by intravenous route. When heated to decomposition it emits toxic fumes of As.
OSHA PEL: TWA 0.5 mg(As)/m3
Methylpropylarsinic acid (CAS NO.73791-45-4) is also named as 3-04-00-01820 (Beilstein Handbook Reference) ; BRN 1700239 ; Arsine oxide, hydroxymethylpropyl- .
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