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Substance Name: Phenoxathiin
RN: 262-20-4
UNII: BJC51V8XW8
InChIKey: GJSGGHOYGKMUPT-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C12-H8-O-S

Molecular Weight

  • 200.26
 
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Names and Synonyms

Name of Substance

  • Phenoxathiin

Synonyms

  • 1,4-Dibenzothioxine
  • 5-19-02-00043 (Beilstein Handbook Reference)
  • AI3-00037
  • BRN 0143232
  • Caswell No. 651
  • CCRIS 4612
  • Dibenzothioxin
  • EINECS 205-975-8
  • EPA Pesticide Chemical Code 064301
  • NSC 464
  • Phenothioxin
  • Phenoxathiane
  • Phenoxathine
  • Phenoxathrin
  • Phenoxthin
  • UNII-BJC51V8XW8
  • USAF DO-17

Systematic Names

  • Dibenzooxathiane
  • Phenoxathiin

Registry Numbers

CAS Registry Number

  • 262-20-4

FDA UNII

  • BJC51V8XW8

System Generated Number

  • 0000262204

Structure Descriptors

InChI

1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H

InChIKey

GJSGGHOYGKMUPT-UHFFFAOYSA-N

Smiles

c12c(Sc3ccccc3O1)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.54 (none)   EXP
Water Solubility 0.449 mg/L 25 EST
Vapor Pressure 1.44E-04 mm Hg 25 EST
Henry's Law Constant 3.12E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.51E-11 cm3/molecule-sec 25 EST

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