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Substance Name: Dibromoacetonitrile
RN: 3252-43-5
UNII: VGJ91H57XU
InChIKey: NDSBDLSWTGLNQA-UHFFFAOYSA-N

Note

  • By-product of water chlorination.

Molecular Formula

  • C2-H-Br2-N

Molecular Weight

  • 198.845
 

Classification Codes

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • Dibromoacetonitrile

Synonyms

  • 4-02-00-00533 (Beilstein Handbook Reference)
  • Acetonitrile, dibromo-
  • BRN 1739037
  • CCRIS 2673
  • Dibromoacetonitrile
  • EINECS 221-843-2
  • HSDB 6862
  • UNII-VGJ91H57XU

Systematic Names

  • Acetonitrile, 2,2-dibromo-
  • Acetonitrile, dibromo-
  • Dibromoacetonitrile

Superlist Name

  • Dibromoacetonitrile

Registry Numbers

CAS Registry Number

  • 3252-43-5

FDA UNII

  • VGJ91H57XU

System Generated Number

  • 0003252435

Structure Descriptors

InChI

1S/C2HBr2N/c3-2(4)1-5/h2H

InChIKey

NDSBDLSWTGLNQA-UHFFFAOYSA-N

Smiles

C(C#N)(Br)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05210,
mouse LD50 oral 289mg/kg (289mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: COMA
EHP, Environmental Health Perspectives. Vol. 69, Pg. 183, 1986.
rat LD50 oral 245mg/kg (245mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: COMA
EHP, Environmental Health Perspectives. Vol. 69, Pg. 183, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.470 (none)   EST
Water Solubility 9600 mg/L 25 EST
Vapor Pressure 0.301 mm Hg 25 EST
Henry's Law Constant 4.06E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.89E-14 cm3/molecule-sec 25 EST

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