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Substance Name: Butyl chloride [NF]
RN: 109-69-3
UNII: ZP7R667SGD
InChIKey: VFWCMGCRMGJXDK-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Molecular Formula

  • C4-H9-Cl

Molecular Weight

  • 92.5681
 
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Names and Synonyms

Name of Substance

  • Butyl chloride
  • Butyl chloride [NF]
  • n-Butyl chloride

Synonyms

  • 1-Chlorobutane
  • 4-01-00-00246 (Beilstein Handbook Reference)
  • AI3-15309
  • BRN 1730909
  • Butane, 1-chloro-
  • Butyl chloride
  • CCRIS 1389
  • Chlorure de butyle
  • Chlorure de butyle [French]
  • EC 203-696-6
  • EINECS 203-696-6
  • HSDB 4167
  • n-Butyl chloride
  • n-Propylcarbinyl chloride
  • NBC wormer
  • NCI-C06155
  • NSC 8419
  • Sure Shot
  • UNII-ZP7R667SGD

Systematic Names

  • 1-Chlorobutane
  • Butane, 1-chloro-
  • n-Butyl chloride

Superlist Names

  • Butane, 1-chloro-
  • Butyl chloride
  • Chlorobutane, 1-
  • n-Butyl chloride
  • n-Chlorobutane
  • n-Chlorobutane [UN1127] [Flammable liquid]
  • UN1127

Registry Numbers

CAS Registry Number

  • 109-69-3

FDA UNII

  • ZP7R667SGD

System Generated Number

  • 0000109693

Structure Descriptors

InChI

1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3

InChIKey

VFWCMGCRMGJXDK-UHFFFAOYSA-N

Smiles

C(CC)CCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 unreported 8gm/kg (8000mg/kg)   Vrachebnoe Delo. Medical Practice. Vol. (7), Pg. 105, 1979.
mouse LD50 unreported 5600mg/kg (5600mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(3), Pg. 11, 1979.
rabbit LDLo skin 20gm/kg (20000mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 745, 1969.
rat LCLo inhalation 8000ppm/4H (8000ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 2670mg/kg (2670mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 unreported 2200mg/kg (2200mg/kg)   Vrachebnoe Delo. Medical Practice. Vol. (7), Pg. 105, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.23E+02 deg C   EXP
Boiling Point 78.6 deg C   EXP
log P (octanol-water) 2.64 (none)   EXP
Water Solubility 1100 mg/L 25 EXP
Vapor Pressure 101 mm Hg 25 EXP
Henry's Law Constant 0.0167 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.50E-12 cm3/molecule-sec 25 EXP

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