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Substance Name: Chlorocyanohydrin
RN: 513-96-2
UNII: H4V24O06Q6
InChIKey: UFVLRHXFRXZBHS-UHFFFAOYSA-N

Molecular Formula

  • C3-H2-Cl3-N-O

Molecular Weight

  • 174.414
 
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Names and Synonyms

Name of Substance

  • Chlorocyanohydrin

Synonyms

  • 4-03-00-00680 (Beilstein Handbook Reference)
  • BRN 1703122
  • Chloral cyanohydrin
  • Chloral hydrocyanide
  • Chlorocyanohydrin
  • EINECS 208-177-8
  • Trichlorolactonitrile
  • UNII-H4V24O06Q6

Systematic Names

  • 3,3,3-Trichlorolactonitrile
  • Lactonitrile, 3,3,3-trichloro-
  • Propanenitrile, 3,3,3-trichloro-2-hydroxy-
  • Propanenitrile, 3,3,3-trichloro-2-hydroxy- (9CI)

Registry Numbers

CAS Registry Number

  • 513-96-2

FDA UNII

  • H4V24O06Q6

System Generated Number

  • 0000513962

Structure Descriptors

InChI

1S/C3H2Cl3NO/c4-3(5,6)2(8)1-7/h2,8H

InChIKey

UFVLRHXFRXZBHS-UHFFFAOYSA-N

Smiles

ClC(Cl)(Cl)[C@@H](O)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 23mg/kg (23mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 12, Pg. 447, 1904.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 61 deg C   EXP
log P (octanol-water) 0.160 (none)   EST
Atmospheric OH Rate Constant 2.29E-13 cm3/molecule-sec 25 EST

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