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102107-61-9

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Basic Information
CAS No.: 102107-61-9
Name: 2-nitro-4-(oxoarsanyl)phenol
Article Data: 4
Molecular Structure:
Molecular Structure of 102107-61-9 (2-nitro-4-(oxoarsanyl)phenol)
Formula: C6H4 As N O4
Molecular Weight: 229.03
Synonyms: Phenol,4-arsinoso-2-nitro- (2CI)
Safety: Poison by intravenous route. When heated to decomposition it emits toxic fumes of NOx and As.
PSA: 83.12000
LogP: 0.61110
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Chemistry

IUPAC Name: 4-arsoroso-2-nitrophenol
Synonyms of 3-Nitro-4-hydroxyphenylarsenous acid (CAS NO.102107-61-9): 2-16-00-00448 (Beilstein Handbook Reference) ;  4-Arsenoso-2-nitrophenol ; BRN 3264522 ; Phenol, 4-arsenoso-2-nitro-
CAS NO: 102107-61-9
Molecular Formula of 3-Nitro-4-hydroxyphenylarsenous acid (CAS NO.102107-61-9): C6H4AsNO4
Molecular Weight: 229.0219
Molecular Structure:

H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area of 3-Nitro-4-hydroxyphenylarsenous acid (CAS NO.102107-61-9): 72.12 Å2 
Smiles: O=[N+]([O-])c1cc([As]=O)ccc1O
InChi: InChI=1/C6H4AsNO4/c9-6-2-1-4(7-10)3-5(6)8(11)12/h1-3,9H
InChIKey: JCHDSEMSNUAJSW-UHFFFAOYAM
Std. InChI: InChI=1S/C6H4AsNO4/c9-6-2-1-4(7-10)3-5(6)8(11)12/h1-3,9H 
Std. InChIKey: JCHDSEMSNUAJSW-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 7500ug/kg (7.5mg/kg)   Pharmaceutical Bulletin. Vol. 2, Pg. 19, 1954.
rat LD50 intravenous 5mg/kg (5mg/kg)   Journal of the American Chemical Society. Vol. 70, Pg. 1762, 1948.

Safety Profile

Poison by intravenous route. When heated to decomposition it emits toxic fumes of NOx and As.

Standards and Recommendations

OSHA PEL: TWA 0.5 mg(As)/m3
ACGIH TLV: BEI: 35 µ (As)/L inorganic arsenic and methylated metabolites in urine