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Substance Name: Bromadiolone [BSI:ISO]
RN: 28772-56-7
UNII: J2FR050NM5
InChIKey: OWNRRUFOJXFKCU-UHFFFAOYSA-N

Molecular Formula

  • C30-H23-Br-O4

Molecular Weight

  • 527.412
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Anticoagulants
  • Hematologic Agents
  • Pesticides
  • Rodenticide
  • Rodenticides

Superlist Classification Code

  • Threshold Planning Quantity (TPQ) = 100/10000 lb
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Names and Synonyms

Results Name

  • Bromadiolone [BSI:ISO]

Name of Substance

  • Bromadiolone
  • Bromadiolone [BSI:ISO]

Synonyms

  • (Hydroxy-4 coumarinyl 3)-3 phenyl-3 (bromo-4 biphenylyl-4)-1 propanol-1
  • (Hydroxy-4 coumarinyl 3)-3 phenyl-3 (bromo-4 biphenylyl-4)-1 propanol-1 [French]
  • (Hydroxy-4-coumarinyl-3)-3-phenyl-3-(bromo-4-biphenylyl-4)-1-propanol-1
  • (Hydroxy-4-coumarinyl-3)-3-phenyl-3-(bromo-4-biphenylyl-4)-1-propanol-1 [French]
  • 2H-1-Benzopyran-2-one, 3-(3-(4'-bromo(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-
  • 3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)3-hydroxy-1-phenylpropyl)-4-hydroxy-2H-1-benzopyran-2-one
  • 3-(3-(4'-Bromobiphenyl-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxycoumarin
  • 3-(4-Hydroxy-2-oxochromen-3-yl)-3-phenyl-1-(4-bromobiphenyl)propan-1-ol
  • 3-(4-Hydroxycoumarin-3-yl)-3-phenyl-1-(4-bromobiphenyl)propan-1-ol
  • 3-(alpha-(p-(p-Bromophenyl)-beta-hydroxyphenethyl)benzyl)-4-hydroxycoumarin
  • 3-(alpha-(p-Bromophenyl)-beta-hydroxyphenethyl)benzyl-4-hydroxycoumarin
  • Boldo
  • Boot hill
  • BRN 1335336
  • Bromadiolone
  • Bromatrol
  • Bromone
  • Bromore
  • Broprodifacoum
  • Broprodifacoum [South Africa]
  • Canadien 2000
  • Caswell No. 486AB
  • Contrac
  • Contrax
  • Coumarin, 3-(alpha-(p-(p-bromophenyl)-beta-hydroxyphenethyl)benzyl)-4-hydroxy-
  • EINECS 249-205-9
  • EPA Pesticide Chemical Code 112001
  • Eradic
  • HSDB 6458
  • LM-637
  • Maki
  • Rafix
  • Ratimus
  • Rotox
  • Sup'operats
  • Super-caid
  • Super-Cald
  • Super-rozol
  • Temus
  • Topidion
  • UNII-J2FR050NM5

Systematic Names

  • 2H-1-Benzopyran-2-one, 3-(3-(4'-bromo(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-
  • 3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-2-benzopyrone
  • 3-(3-(4'-Bromo(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-2H-1-benzopyran-2-one
  • Coumarin, 3-(3-(4'-bromo-1,1'-biphenyl-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxy-
  • Coumarin, 3-(alpha-(p-(p-bromophenyl)-beta-hydroxyphenethyl)benzyl)-4-hydroxy- (8CI)

Superlist Names

  • 3-(3-(4'-Bromo-(1,1'-biphenyl)-4-yl)-3-hydroxy-1-phenylpropyl)-4-hydroxycoumarin
  • Bromadiolone

Registry Numbers

CAS Registry Number

  • 28772-56-7

FDA UNII

  • J2FR050NM5

System Generated Number

  • 0028772567

Structure Descriptors

InChI

1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32-33H,18H2

InChIKey

OWNRRUFOJXFKCU-UHFFFAOYSA-N

Smiles

c1([C@@H](c2ccccc2)C[C@@H](c2ccc(c3ccc(Br)cc3)cc2)O)c(c2c(cccc2)oc1=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 oral > 25mg/kg (25mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A041, Pg. 1983,
dog LD50 oral 8100ug/kg (8.1mg/kg)   Defense des Vegetaux. Vol. 43(255-256), Pg. 18, 1989.
mouse LD50 oral 1750ug/kg (1.75mg/kg) BLOOD: HEMORRHAGE

BLOOD: CHANGE IN CLOTTING FACTORS
Phytiatrie-Phytopharmacie. Vol. 25, Pg. 69, 1976.
quail LD50 oral 1600mg/kg (1600mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A041, Pg. 1983,
rabbit LD50 oral 1mg/kg (1mg/kg) BLOOD: HEMORRHAGE

BLOOD: CHANGE IN CLOTTING FACTORS
Phytiatrie-Phytopharmacie. Vol. 25, Pg. 69, 1976.
rabbit LD50 skin 2100ug/kg (2.1mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A041, Pg. 1983,
rat LD50 oral 490ug/kg (0.49mg/kg)   MARDI Research Bulletin. Vol. 13, Pg. 303, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 205 deg C   EXP
pKa Dissociation Constant 4.04 (none) 21 EXP
log P (octanol-water) 7.020 (none)   EST
Water Solubility 19 mg/L 20 EXP
Vapor Pressure 1.50E-08 mm Hg 20 EXP
Henry's Law Constant 5.48E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.14E-11 cm3/molecule-sec 25 EST

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