Molecule structure of 4-Tolylarsenous acid (CAS NO.102395-95-9):
IUPAC Name: 1-Arsoroso-4-methylbenzene
Molecular Weight: 182.05148 g/mol
Molecular Formula: C7H7AsO
H-Bond Acceptor: 1
Exact Mass: 181.971286
MonoIsotopic Mass: 181.971286
Topological Polar Surface Area: 17.1
Heavy Atom Count: 9
Complexity: 95.1
Canonical SMILES: CC1=CC=C(C=C1)[As]=O
InChI: InChI=1S/C7H7AsO/c1-6-2-4-7(8-9)5-3-6/h2-5H,1H3
InChIKey of 4-Tolylarsenous acid (CAS NO.102395-95-9): PWOCQGLOCGJPDU-UHFFFAOYSA-N
1. | ivn-mus LDLo:1720 µg/kg | PHBUA9 Pharmaceutical Bulletin. 2 (1954),19. |
Poison by intravenous route. When heated to decomposition it emits toxic fumes of As.
OSHA PEL: TWA 0.5 mg(As)/m3
4-Tolylarsenous acid (CAS NO.102395-95-9) is also named as 4-16-00-01163 (Beilstein Handbook Reference) ; BRN 3530260 ; p-Arsenosotoluene ; Toluene, p-arsenoso- .
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