chempirical

tert-Butyl chloride

C4H9ClCAS 507-20-092.57 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C4H9Cl
Molar mass
92.57 g/mol
Exact mass
92.0393 Da
Density
0.8511 g/mL (at 20 °C)
Melting point
−26 °C
Boiling point
50.9 °C
logP
2.02Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)

Aggregated from 93 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
507-20-0
SMILES
CC(C)(C)Cl
InChIKey
NBRKLOOSMBRFMH-UHFFFAOYSA-N
InChI
InChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names
  • Propane, 2-chloro-2-methyl-
  • 2-Chloro-2-methylpropane
  • 2-Chloroisobutane
  • Trimethylchloromethane
  • 2-Methyl-2-propyl chloride
  • 2-Methyl-2-chloropropane
  • Chlorotrimethylmethane
  • 1,1-Dimethylethyl chloride
  • 1-Chloro-1,1-dimethylethane
  • NSC 6527

Reactions

Work with tert-Butyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2-Dichloropropane594-20-738 % similar 1,1,1-Trichloroethane71-55-638 % similar 1,1-Dichloro-1-fluoroethane1717-00-631 % similar 2,5-Dichloro-2,5-dimethylhexane6223-78-531 % similar 1-Chloro-1,1-difluoroethane75-68-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Chlorobutane109-69-3 Isobutyl chloride513-36-0 2-Chlorobutane78-86-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia