Molecule structure of Dibutylarsinic acid (CAS NO.2850-61-5):
IUPAC Name: Dibutylarsinic acid
Molecular Weight: 222.15686 g/mol
Molecular Formula: C8H19AsO2
Boiling Point: 322.5 °C at 760 mmHg
Flash Point: 152 °C
Enthalpy of Vaporization: 65.41 kJ/mol
Vapour Pressure: 2.21E-05 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 6
Exact Mass: 222.060101
MonoIsotopic Mass: 222.060101
Topological Polar Surface Area: 37.3
Heavy Atom Count: 11
Complexity: 122
Canonical SMILES: CCCC[As](=O)(CCCC)O
InChI: InChI=1S/C8H19AsO2/c1-3-5-7-9(10,11)8-6-4-2/h3-8H2,1-2H3,(H,10,11)
InChIKey of Dibutylarsinic acid (CAS NO.2850-61-5): YNNYNTYYNRKDCX-UHFFFAOYSA-N
1. | ivn-mus LD50:18 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#01190 . |
Poison by intravenous route. When heated to decomposition it emits toxic fumes of As.
OSHA PEL: TWA 0.5 mg(As)/m3
Dibutylarsinic acid (CAS NO.2850-61-5) is also named as 2-04-00-00995 (Beilstein Handbook Reference) ; BRN 1757626 ; Arsine oxide, dibutylhydroxy- ; Arsinic acid, dibutyl- (9CI) .
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