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Substance Name: p-Bromophenyl isocyanate
RN: 2493-02-9
UNII: MGR77M31ZW
InChIKey: CZQIJQFTRGDODI-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-Br-N-O

Molecular Weight

  • 198.019
 
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Names and Synonyms

Name of Substance

  • p-Bromophenyl isocyanate

Synonyms

  • 1-Bromo-4-isocyanatobenzene
  • 4-Bromophenyl isocyanate
  • 4-Bromophenylisocyanate
  • EINECS 219-662-9
  • NSC 8037
  • p-Bromocarbanil
  • p-Bromophenyl carbonimide
  • p-Bromophenyl isocyanate
  • p-Bromophenylisocyanate
  • UNII-MGR77M31ZW

Systematic Names

  • 4-Bromophenyl isocyanate
  • Benzene, 1-bromo-4-isocyanato-
  • Isocyanic acid, p-bromophenyl ester (6CI,7CI,8CI)

Registry Numbers

CAS Registry Number

  • 2493-02-9

FDA UNII

  • MGR77M31ZW

System Generated Number

  • 0002493029

Structure Descriptors

InChI

1S/C7H4BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

InChIKey

CZQIJQFTRGDODI-UHFFFAOYSA-N

Smiles

O=C=Nc1ccc(cc1)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 3200mg/kg (3200mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: MUSCLE WEAKNESS
National Technical Information Service. Vol. OTS0528349,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 226 deg C   EXP
log P (octanol-water) 3.480 (none)   EST
Atmospheric OH Rate Constant 1.35E-12 cm3/molecule-sec 25 EST

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