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Substance Name: p-Chlorophenacyl bromide
RN: 536-38-9
UNII: 2R0V40DI4R
InChIKey: FLAYZKKEOIAALB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H6-Br-Cl-O

Molecular Weight

  • 233.491
 
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Names and Synonyms

Name of Substance

  • p-Chlorophenacyl bromide

Synonyms

  • 2-Bromo-4'-chloroacetophenone
  • 2-Bromo-p-chloroacetophenone
  • 4'-Chlorophenacyl bromide
  • 4-07-00-00651 (Beilstein Handbook Reference)
  • 4-Chloro-omega-bromoacetophenone
  • alpha-Bromo-4'-chloroacetophenone
  • BRN 0607603
  • Bromomethyl p-chlorophenyl ketone
  • EINECS 208-631-5
  • Ethanone, 2-bromo-1-(4-chlorophenyl)-
  • NSC 8452
  • omega-Bromo-p-chloroacetophenone
  • p-(Bromoacetyl)chlorobenzene
  • p-Chloro-omega-bromoacetophenone
  • p-Chlorophenacyl bromide
  • UNII-2R0V40DI4R

Systematic Names

  • Acetophenone, 2-bromo-4'-chloro-
  • Bromomethyl p-chlorophenyl ketone
  • Ethanone, 2-bromo-1-(4-chlorophenyl)-

Registry Numbers

CAS Registry Number

  • 536-38-9

FDA UNII

  • 2R0V40DI4R

System Generated Number

  • 0000536389

Structure Descriptors

InChI

1S/C8H6BrClO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

InChIKey

FLAYZKKEOIAALB-UHFFFAOYSA-N

Smiles

O=C(c1ccc(cc1)Cl)CBr

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
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 96.5 deg C   EXP
log P (octanol-water) 2.660 (none)   EST
Atmospheric OH Rate Constant 1.45E-12 cm3/molecule-sec 25 EST

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