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Substance Name: Flocoumafen [BSI:ISO]
RN: 90035-08-8
UNII: 2Z80062XQ4
InChIKey: KKBGNYHHEIAGOH-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Reproductive Effect
  • Rodenticide

Molecular Formula

  • C33-H25-F3-O4

Molecular Weight

  • 542.55
 
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Names and Synonyms

Results Name

  • Flocoumafen [BSI:ISO]

Name of Substance

  • Flocoumafen
  • Flocoumafen [BSI:ISO]

Synonyms

  • 4-Hydroxy-3-(1,2,3,4-tetrahydro-3-(4-(4-trifluoromethylbenzyloxy)phenyl)-1-naphthyl)coumarin
  • EC 421-960-0
  • Flocoumafen
  • Flocoumafene
  • Flocoumafene [ISO-French]
  • HSDB 6643
  • Storm
  • Stratgem
  • UNII-2Z80062XQ4
  • WL 108366

Systematic Names

  • 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-3-(4-((4-(trifluoromethyl)phenyl)methoxy)phenyl)-1-naphthalenyl)-
  • A mixture of: cis-4-Hydroxy-3-(1,2,3,4-tetrahydro-3-(4-(4-trifluoromethylbenzyloxy)phenyl)-1-naphthyl)coumarin; trans-4-Hydroxy-3-(1,2,3,4-tetrahydro-3-(4-(4-trifluoromethylbenzyloxy)phenyl)-1-naphthyl)coumarin

Registry Numbers

CAS Registry Number

  • 90035-08-8

FDA UNII

  • 2Z80062XQ4

System Generated Number

  • 0090035088

Structure Descriptors

InChI

1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2

InChIKey

KKBGNYHHEIAGOH-UHFFFAOYSA-N

Smiles

O=c1oc2ccccc2c(O)c1[C@@H]1c2ccccc2C[C@@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral > 100mg/kg (100mg/kg)   Pesticide Manual. Vol. 9, Pg. 398, 1991.
dog LD50 oral 75ug/kg (0.075mg/kg)   Pesticide Manual. Vol. 9, Pg. 398, 1991.
duck LD50 oral 100mg/kg (100mg/kg)   Pesticide Manual. Vol. 9, Pg. 398, 1991.
gerbil LD50 oral 180ug/kg (0.18mg/kg)   Pesticide Manual. Vol. 9, Pg. 398, 1991.
mouse LD50 oral 800ug/kg (0.8mg/kg)   Pesticide Manual. Vol. 9, Pg. 398, 1991.
pig LD50 oral 60mg/kg (60mg/kg)   Pesticide Manual. Vol. 9, Pg. 398, 1991.
quail LD50 oral > 300mg/kg (300mg/kg)   Pesticide Manual. Vol. 9, Pg. 398, 1991.
rabbit LD50 oral 700ug/kg (0.7mg/kg)   Pesticide Manual. Vol. 9, Pg. 398, 1991.
rat LD50 oral 250ug/kg (0.25mg/kg)   Pesticide Manual. Vol. 9, Pg. 398, 1991.
rat LD50 skin > 3mg/kg (3mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C285, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 170 deg C   EXP
Water Solubility 1.1 mg/L   EXP
Vapor Pressure 1.00E-12 mm Hg 25 EXP
Atmospheric OH Rate Constant 8.68E-11 cm3/molecule-sec 25 EST

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