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Substance Name: 2-Chlorobutane
RN: 78-86-4
UNII: AV999R2773
InChIKey: BSPCSKHALVHRSR-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C4-H9-Cl

Molecular Weight

  • 92.5681
 
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Names and Synonyms

Name of Substance

  • 2-Chlorobutane

Synonyms

  • 1-Methylpropyl chloride
  • 2-Chlorobutane
  • 3-01-00-00277 (Beilstein Handbook Reference)
  • BRN 1718770
  • CCRIS 9391
  • EC 201-151-7
  • EINECS 201-151-7
  • sec-Butyl chloride
  • UNII-AV999R2773

Systematic Names

  • 2-Chlorobutane
  • Butane, 2-chloro-

Superlist Names

  • 2-Chlorobutane [UN1127] [Flammable liquid]
  • Butane, 2-chloro-
  • sec-Butyl chloride
  • UN1127

Registry Numbers

CAS Registry Number

  • 78-86-4

FDA UNII

  • AV999R2773

Other Registry Number

  • 53178-20-4

System Generated Number

  • 0000078864

Structure Descriptors

InChI

1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3

InChIKey

BSPCSKHALVHRSR-UHFFFAOYSA-N

Smiles

C([C@@H](C)Cl)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 20mL/kg (20mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LCLo inhalation 8000ppm/4H (8000ppm)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 oral 20mL/kg (20mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.40E+02 deg C   EXP
Boiling Point 68 deg C   EXP
log P (octanol-water) 2.33 (none)   EXP
Water Solubility 1000 mg/L 25 EXP
Vapor Pressure 157 mm Hg 25 EXP
Henry's Law Constant 0.0241 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 2.30E-12 cm3/molecule-sec 25 EXP

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