chempirical

tert-Amyl chloride

C5H11ClCAS 594-36-5106.59 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
0.87 g/mL
Melting point
−73.5 °C
Boiling point
85.5 °C
logP
2.41Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
594-36-5
SMILES
CCC(C)(C)Cl
InChIKey
CRNIHJHMEQZAAS-UHFFFAOYSA-N
InChI
InChI=1S/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3

Weigh it out

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

Names and synonyms

7 names
  • Butane, 2-chloro-2-methyl-
  • 2-Chloro-2-methylbutane
  • tert-Pentyl chloride
  • 1,1-Dimethylpropyl chloride
  • 2-Methyl-2-chlorobutane
  • NSC 7900
  • 1,1-Dimethyl-chloropropane

Work with tert-Amyl 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

2,5-Dichloro-2,5-dimethylhexane6223-78-553 % similar 1,2-Dichloro-2-methylpropane594-37-647 % similar 3,3-Dimethylpentane562-49-239 % similar 2,2-Dimethylbutane75-83-239 % similar 2-Bromo-2-methylbutane507-36-835 % similar 2-Methyl-2-butanethiol1679-09-033 % similar tert-Amylamine594-39-833 % similar tert-Amyl alcohol75-85-433 % similar

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

Same formula

1-Chloro-3-methylbutane107-84-6 1-Chloropentane543-59-9 1-Chloro-2-methylbutane616-13-7 1-Chloro-2,2-dimethylpropane753-89-9

Elsewhere

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