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Substance Name: Phosphorothioic acid, O,O-dimethyl O-(3-ethyl-4-nitrophenyl) ester
RN: 13074-09-4
InChIKey: ICSZIVRHPGGLMP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-N-O5-P-S

Molecular Weight

  • 291.263
 
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Names and Synonyms

Synonyms

  • BRN 2292512
  • O,O-Dimethyl O-(3-ethyl-4-nitrophenyl)phosphorothioate

Systematic Name

  • Phosphorothioic acid, O,O-dimethyl O-(3-ethyl-4-nitrophenyl) ester

Registry Numbers

CAS Registry Number

  • 13074-09-4

System Generated Number

  • 0013074094

Structure Descriptors

InChI

1S/C10H14NO5PS/c1-4-8-7-9(5-6-10(8)11(12)13)16-17(18,14-2)15-3/h5-7H,4H2,1-3H3

InChIKey

ICSZIVRHPGGLMP-UHFFFAOYSA-N

Smiles

S=P(OC)(OC)Oc1cc(CC)c([N+](=O)[O-])cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1400mg/kg (1400mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archives of Toxicology. Vol. 41, Pg. 111, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.74 (none)   EXP
Water Solubility 3.600 mg/L 25 EST
Vapor Pressure 9.73E-06 mm Hg 25 EST
Henry's Law Constant 2.46E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.08E-11 cm3/molecule-sec 25 EST

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