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Substance Name: Difethialone [ISO]
RN: 104653-34-1
UNII: KOL4VXI5O0
InChIKey: JHELOZJAKXYVBE-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Rodenticide

Molecular Formula

  • C31-H23-Br-O2-S

Molecular Weight

  • 539.4907
 
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Names and Synonyms

Name of Substance

  • Difethialone
  • Difethialone [ISO]

Synonyms

  • 3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-2H-1-benzothiapyran-2-one
  • Difethialone
  • HSDB 7119
  • UNII-KOL4VXI5O0

Systematic Names

  • 2H-1-Benzothiapyran-2-one, 3-(3-(4'-bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-
  • 2H-1-Benzothiopyran-2-one, 3-(3-(4'-bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-

Registry Numbers

CAS Registry Number

  • 104653-34-1

FDA UNII

  • KOL4VXI5O0

System Generated Number

  • 0104653341

Structure Descriptors

InChI

1S/C31H23BrO2S/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2

InChIKey

JHELOZJAKXYVBE-UHFFFAOYSA-N

Smiles

O=c1sc2ccccc2c(O)c1[C@@H]1C[C@@H](c2ccc(c3ccc(Br)cc3)cc2)Cc2ccccc12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - domestic LD50 oral 870ug/kg (0.87mg/kg)   Defense des Vegetaux. Vol. 43(255-256), Pg. 21, 1989.
mouse LD50 oral 1900ug/kg (1.9mg/kg)   Defense des Vegetaux. Vol. 43(255-256), Pg. 21, 1989.
pig LD50 oral 4mg/kg (4mg/kg)   Defense des Vegetaux. Vol. 43(255-256), Pg. 21, 1989.
rat LD50 oral 550ug/kg (0.55mg/kg)   Defense des Vegetaux. Vol. 43(255-256), Pg. 21, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 234.5 deg C   EXP
Water Solubility 0.39 mg/L 25 EXP
Vapor Pressure 5.55E-07 mm Hg 25 EXP
Henry's Law Constant 1.00E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.85E-11 cm3/molecule-sec 25 EST

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