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Substance Name: 4-Bromoaniline
RN: 106-40-1
UNII: 0RR61TC330
InChIKey: WDFQBORIUYODSI-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H6-Br-N

Molecular Weight

  • 172.024
 
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Names and Synonyms

Name of Substance

  • 4-Bromoaniline
  • p-Bromoaniline

Synonyms

  • 4-12-00-01497 (Beilstein Handbook Reference)
  • 4-Bromanilinu
  • 4-Bromanilinu [Czech]
  • 4-Bromo-aniline
  • 4-Bromoaniline
  • 4-Bromobenzenamine
  • 4-Bromobenzeneamine
  • AI3-17277
  • Aniline, p-bromo-
  • Benzenamine, 4-bromo-
  • BRN 0742031
  • CCRIS 4591
  • EINECS 203-393-9
  • HSDB 2194
  • NSC 7085
  • p-Bromoaniline
  • p-Bromophenylamine
  • UNII-0RR61TC330

Systematic Names

  • 4-Bromoaniline
  • 4-Bromobenzenamine
  • Aniline, p-bromo-
  • Benzenamine, 4-bromo-
  • p-Bromoaniline

Registry Numbers

CAS Registry Number

  • 106-40-1

FDA UNII

  • 0RR61TC330

Related Registry Number

  • 624-19-1 (hydrochloride)

System Generated Number

  • 0000106401

Structure Descriptors

InChI

InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2

InChIKey

WDFQBORIUYODSI-UHFFFAOYSA-N

Smiles

Nc1ccc(Br)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 248mg/kg (248mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(12), Pg. 19, 1979.
mouse LD50 oral 289mg/kg (289mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(12), Pg. 19, 1979.
rat LD50 oral 456mg/kg (456mg/kg)   Ceskoslovenska Hygiena. Czechoslovak Hygiene. Vol. 23, Pg. 168, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 66.4 deg C   EXP
pKa Dissociation Constant 3.86 (none) 25 EXP
log P (octanol-water) 2.26 (none)   EXP
Water Solubility 707 mg/L 25 EST
Vapor Pressure 0.043 mm Hg 25 EST
Henry's Law Constant 7.59E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.09E-11 cm3/molecule-sec 25 EST

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