chempirical

1-Chloro-3-methylbutane

C5H11ClCAS 107-84-6106.59 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C5H11Cl
Molar mass
106.59 g/mol
Exact mass
106.0549 Da
Density
0.8692 g/mL (at 15 °C)
Melting point
−104.4 °C
Boiling point
98.9 °C
logP
2.27Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
107-84-6
SMILES
CC(C)CCCl
InChIKey
CZHLPWNZCJEPJB-UHFFFAOYSA-N
InChI
InChI=1S/C5H11Cl/c1-5(2)3-4-6/h5H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Butane, 1-chloro-3-methyl-
  • 4-Chloro-2-methylbutane
  • Isoamyl chloride
  • Isopentyl chloride
  • 1-Chloro-3,3-dimethylpropane
  • 3-Methylbutyl chloride
  • 3-Methyl-1-chlorobutane
  • NSC 6528

Work with 1-Chloro-3-methylbutane

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

2,5-Dimethylhexane592-13-253 % similar 1,3-Dichlorobutane1190-22-350 % similar 2,7-Dimethyloctane1072-16-847 % similar Isobutyl chloride513-36-044 % similar 2-Methylpentane107-83-542 % similar 1-Bromo-3-methylbutane107-82-440 % similar Isoamylamine107-85-740 % similar Isoamyl alcohol123-51-340 % similar

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

Same formula

1-Chloropentane543-59-9 tert-Amyl chloride594-36-5 1-Chloro-2-methylbutane616-13-7 1-Chloro-2,2-dimethylpropane753-89-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook