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Substance Name: tert-Butyl chloride
RN: 507-20-0
UNII: JN2YO95TZ0
InChIKey: NBRKLOOSMBRFMH-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C4-H9-Cl

Molecular Weight

  • 92.5681
 
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Names and Synonyms

Name of Substance

  • tert-Butyl chloride

Synonyms

  • 2-Chloro-2-methylpropane
  • 2-Chloroisobutane
  • 2-Methyl-2-chloropropane
  • 2-Methyl-2-propyl chloride
  • 4-01-00-00288 (Beilstein Handbook Reference)
  • AI3-30754
  • BRN 1730872
  • CCRIS 9388
  • Chlorotrimethylmethane
  • EC 208-066-4
  • EINECS 208-066-4
  • NSC 6527
  • Propane, 2-chloro-2-methyl-
  • t-Butyl chloride
  • tert-Butyl chloride
  • tert-Butylchloride
  • Trimethylchloromethane
  • UNII-JN2YO95TZ0

Systematic Names

  • 2-Chloro-2-methylpropane
  • Propane, 2-chloro-2-methyl-

Superlist Names

  • Propane, 2-chloro-2-methyl-
  • tert-Butyl chloride

Registry Numbers

CAS Registry Number

  • 507-20-0

FDA UNII

  • JN2YO95TZ0

System Generated Number

  • 0000507200

Structure Descriptors

InChI

1S/C4H9Cl/c1-4(2,3)5/h1-3H3

InChIKey

NBRKLOOSMBRFMH-UHFFFAOYSA-N

Smiles

C(C)(C)(C)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.60E+01 deg C   EXP
Boiling Point 50.9 deg C   EXP
log P (octanol-water) 2.450 (none)   EST
Water Solubility 2880 mg/L 15 EXP
Vapor Pressure 302 mm Hg 25 EXP
Henry's Law Constant 0.013 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.10E-13 cm3/molecule-sec 25 EXP

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