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Substance Name: Butylidene chloride
RN: 541-33-3
UNII: H297I90DAD
InChIKey: SEQRDAAUNCRFIT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C4-H8-Cl2

Molecular Weight

  • 127.013
 
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Names and Synonyms

Name of Substance

  • Butylidene chloride

Synonyms

  • 1,1-Dichlorobutane
  • 4-01-00-00250 (Beilstein Handbook Reference)
  • BRN 1731178
  • Butylidene chloride
  • EINECS 208-775-9
  • UNII-H297I90DAD

Systematic Names

  • 1,1-Dichlorobutane
  • Butane, 1,1-dichloro-

Registry Numbers

CAS Registry Number

  • 541-33-3

FDA UNII

  • H297I90DAD

System Generated Number

  • 0000541333

Structure Descriptors

InChI

1S/C4H8Cl2/c1-2-3-4(5)6/h4H,2-3H2,1H3

InChIKey

SEQRDAAUNCRFIT-UHFFFAOYSA-N

Smiles

C(C(Cl)Cl)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4859mg/kg (4859mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 3, Pg. 169, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 113.8 deg C   EXP
log P (octanol-water) 2.740 (none)   EST
Water Solubility 502 mg/L 25 EXP
Vapor Pressure 22.8 mm Hg 25 EXP
Henry's Law Constant 7.61E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.07E-12 cm3/molecule-sec 25 EST

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