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Substance Name: Chloroacetonitrile
RN: 107-14-2
UNII: CN524K9DXD
InChIKey: RENMDAKOXSCIGH-UHFFFAOYSA-N

Molecular Formula

  • C2-H2-Cl-N

Molecular Weight

  • 75.4978
 

Classification Codes

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • Chloroacetonitrile

Synonyms

  • 2-Chloroacetonitrile
  • 4-02-00-00492 (Beilstein Handbook Reference)
  • Acetonitrile, chloro-
  • AI3-52205
  • alpha-Chloroacetonitrile
  • BRN 0506028
  • CCRIS 2670
  • Chloracetonitrile
  • Chloroacetonitrile
  • Chloroethanenitrile
  • Chloromethyl cyanide
  • EINECS 203-467-0
  • HSDB 6317
  • Monochloroacetonitrile
  • Monochloromethyl cyanide
  • NSC 6180
  • UNII-CN524K9DXD
  • USAF KF-5

Systematic Names

  • Acetonitrile, 2-chloro-
  • Acetonitrile, chloro-
  • Chloroacetonitrile

Superlist Names

  • Chloroacetonitrile
  • Chloroacetonitrile [UN2668] [Poison]
  • UN2668

Registry Numbers

CAS Registry Number

  • 107-14-2

FDA UNII

  • CN524K9DXD

Other Registry Number

  • 1867-10-3

System Generated Number

  • 0000107142

Structure Descriptors

InChI

1S/C2H2ClN/c3-1-2-4/h1H2

InChIKey

RENMDAKOXSCIGH-UHFFFAOYSA-N

Smiles

C(C#N)Cl

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,
mouse LD50 oral 139mg/kg (139mg/kg)   Archives of Toxicology. Vol. 55, Pg. 47, 1984.
rabbit LD50 skin 71uL/kg (0.071mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LCLo inhalation 250ppm/4H (250ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 220mg/kg (220mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 126 deg C   EXP
log P (octanol-water) 0.45 (none)   EXP
Water Solubility 1.00E+05 mg/L   EXP
Vapor Pressure 15 mm Hg 31 EXP
Henry's Law Constant 1.08E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.46E-14 cm3/molecule-sec 25 EST

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