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Substance Name: Butanenitrile, 4-bromo-
RN: 5332-06-9
InChIKey: CQPGDDAKTTWVDD-UHFFFAOYSA-N

Molecular Formula

  • C4-H6-Br-N

Molecular Weight

  • 148.002
 
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Names and Synonyms

Synonyms

  • 1-Bromo-3-cyanopropane
  • 3-Bromopropyl cyanide
  • 3-Cyanopropyl bromide
  • 4-02-00-00836 (Beilstein Handbook Reference)
  • 4-Bromobutanenitrile
  • 4-Bromobutyronitrile
  • AI3-52296
  • BRN 0956577
  • EINECS 226-236-6
  • gamma-Bromobutyronitrile
  • NSC 3972
  • USAF DO-6

Systematic Names

  • 4-Bromobutyronitrile
  • Butanenitrile, 4-bromo-
  • Butyronitrile, 4-bromo-

Registry Numbers

CAS Registry Number

  • 5332-06-9

System Generated Number

  • 0005332069

Structure Descriptors

InChI

1S/C4H6BrN/c5-3-1-2-4-6/h1-3H2

InChIKey

CQPGDDAKTTWVDD-UHFFFAOYSA-N

Smiles

C(CCBr)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 206 deg C   EXP
log P (octanol-water) 1.180 (none)   EST
Atmospheric OH Rate Constant 5.92E-13 cm3/molecule-sec 25 EST

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