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Substance Name: 2-Butyne, 1,4-dichloro-
RN: 821-10-3
InChIKey: RCHDLEVSZBOHOS-UHFFFAOYSA-N

Molecular Formula

  • C4-H4-Cl2

Molecular Weight

  • 122.982
 
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Names and Synonyms

Synonyms

  • 1,4-Dichloro-2-butyne
  • 1,4-Dichlorobutyne
  • 4-01-00-00973 (Beilstein Handbook Reference)
  • AI3-26930
  • BRN 0635740
  • EINECS 212-474-8
  • NSC 30603

Systematic Names

  • 1,4-Dichlorobut-2-yne
  • 2-Butyne, 1,4-dichloro-

Registry Numbers

CAS Registry Number

  • 821-10-3

System Generated Number

  • 0000821103

Structure Descriptors

InChI

1S/C4H4Cl2/c5-3-1-2-4-6/h3-4H2

InChIKey

RCHDLEVSZBOHOS-UHFFFAOYSA-N

Smiles

C(CCl)#CCCl

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#02969,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 165.5 deg C   EXP
log P (octanol-water) 2.01 (none)   EXP
Water Solubility 1880 mg/L 25 EST
Vapor Pressure 1.860 mm Hg 25 EST
Henry's Law Constant 1.33E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.63E-11 cm3/molecule-sec 25 EST

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