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Substance Name: Benzenearsonic acid
RN: 98-05-5
UNII: 57F9KU116M
InChIKey: LVKZSFMYNWRPJX-UHFFFAOYSA-N

Molecular Formula

  • C6-H7-As-O3

Molecular Weight

  • 202.04
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Unspecified / Unclassified Pesticide

Superlist Classification Code

  • Threshold Planning Quantity (TPQ) = 10/10000 lb
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Names and Synonyms

Name of Substance

  • Benzenearsonic acid

Synonyms

  • 4-16-00-01183 (Beilstein Handbook Reference)
  • AI3-16050
  • Arsonic acid, phenyl-
  • Benzenearsonic acid
  • BRN 2935741
  • EINECS 202-631-9
  • HSDB 6381
  • Kyselina benzenarsonova
  • Kyselina benzenarsonova [Czech]
  • Monophenylarsonic acid
  • NSC 15566
  • Phenylarsonic acid
  • UNII-57F9KU116M

Systematic Names

  • Arsonic acid, As-phenyl-
  • Arsonic acid, phenyl-
  • Benzenearsonic acid
  • Phenylarsonic acid

Superlist Names

  • Benzenearsonic acid
  • Phenylarsonic acid

Registry Numbers

CAS Registry Number

  • 98-05-5

FDA UNII

  • 57F9KU116M

System Generated Number

  • 0000098055

Structure Descriptors

InChI

1S/C6H7AsO3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H,(H2,8,9,10)

InChIKey

LVKZSFMYNWRPJX-UHFFFAOYSA-N

Smiles

c1(ccccc1)[As](O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 270ug/kg (0.27mg/kg)   Compilation of LD50 Values of New Drugs.
rabbit LD50 intravenous 16mg/kg (16mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 93, 1944.
rat LDLo oral 50mg/kg (50mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 287, 1948.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 158 dec deg C   EXP
log P (octanol-water) 0.06 (none)   EXP
Water Solubility 3.80E+04 mg/L 25 EST
Vapor Pressure 1.11E-06 mm Hg 25 EST
Atmospheric OH Rate Constant 2.23E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.