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Substance Name: 4-Bromobenzaldehyde
RN: 1122-91-4
UNII: 4L8VM24F65
InChIKey: ZRYZBQLXDKPBDU-UHFFFAOYSA-N

Molecular Formula

  • C7-H5-Br-O

Molecular Weight

  • 185.02
 
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Names and Synonyms

Name of Substance

  • 4-Bromobenzaldehyde

Synonyms

  • 4-Bromobenzaldehyde
  • Benzaldehyde, p-bromo-
  • EINECS 214-365-0
  • NSC 21638
  • p-Bromobenzaldehyde
  • UNII-4L8VM24F65

Systematic Names

  • 4-Bromobenzaldehyde
  • Benzaldehyde, 4-bromo-
  • Benzaldehyde, p-bromo-

Registry Numbers

CAS Registry Number

  • 1122-91-4

FDA UNII

  • 4L8VM24F65

System Generated Number

  • 0001122914

Structure Descriptors

InChI

1S/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H

InChIKey

ZRYZBQLXDKPBDU-UHFFFAOYSA-N

Smiles

O=Cc1ccc(cc1)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 389mg/kg (389mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(12), Pg. 19, 1979.
mouse LD50 oral 1230mg/kg (1230mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(12), Pg. 19, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 67 deg C   EXP
log P (octanol-water) 2.600 (none)   EST
Atmospheric OH Rate Constant 1.73E-11 cm3/molecule-sec 25 EST

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