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Substance Name: p-Bromophenacyl bromide
RN: 99-73-0
UNII: PN0FRW1G4Z
InChIKey: FKJSFKCZZIXQIP-UHFFFAOYSA-N

Note

  • Phospholipidase A(2) inhibitor.

Molecular Formula

  • C8-H6-Br2-O

Molecular Weight

  • 277.9424
 

Classification Codes

  • Antidiarrheals
  • Enzyme Inhibitors
  • Gastrointestinal Agents
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Names and Synonyms

Name of Substance

  • 4-Bromophenacyl bromide
  • p-Bromophenacyl bromide

Synonyms

  • 2,4'-Dibromoacetophenone
  • 4-07-00-00652 (Beilstein Handbook Reference)
  • 4-Bromo(bromoacetyl)benzene
  • 4-Bromophenacyl bromide
  • AI3-52310
  • alpha,4-Dibromoacetophenone
  • alpha,p-Dibromoacetophenone
  • BRN 0607604
  • Bromomethyl 4-bromophenyl ketone
  • Bromomethyl p-bromophenyl ketone
  • CCRIS 3623
  • EINECS 202-783-6
  • NSC 6224
  • p-Bromophenacyl bromide
  • p-Bromophenacyl-8
  • Parabromophenacyl bromide
  • UNII-PN0FRW1G4Z

Systematic Names

  • 2,4'-Dibromoacetophenone
  • 4-Bromophenacyl bromide
  • Acetophenone, 2,4'-dibromo-
  • Ethanone, 2-bromo-1-(4-bromophenyl)-

Registry Numbers

CAS Registry Number

  • 99-73-0

FDA UNII

  • PN0FRW1G4Z

System Generated Number

  • 0000099730

Structure Descriptors

InChI

1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

InChIKey

FKJSFKCZZIXQIP-UHFFFAOYSA-N

Smiles

c1(ccc(Br)cc1)C(CBr)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02407,
mouse LD50 oral > 2gm/kg (2000mg/kg)   Medicina Experimentalis. Vol. 11, Pg. 137, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 111 deg C   EXP
log P (octanol-water) 2.910 (none)   EST
Atmospheric OH Rate Constant 1.32E-12 cm3/molecule-sec 25 EST

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