1-Chloro-2-methylbutane

C₅H₁₁ClCAS 616-13-7106.59 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₁Cl
Molar mass: 106.59 g/mol
Exact mass: 106.0549 Da
Density: 0.8818 g/mL (at 15 °C)
Boiling point: 96–99 °C
logP: 2.27Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers

Aggregated from 41 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

616-13-7

SMILES

CCC(C)CCl

InChIKey

IWAKWOFEHSYKSI-UHFFFAOYSA-N

InChI

InChI=1S/C5H11Cl/c1-3-5(2)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

3 names

Butane, 1-chloro-2-methyl-
2-Methylbutyl chloride
(±)-1-Chloro-2-methylbutane

Work with 1-Chloro-2-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

3-Methylpentane96-14-059 % similar 3,5-Dimethylheptane926-82-953 % similar 1-Bromo-3-chloro-2-methylpropane6974-77-250 % similar 1-Bromo-2-methylbutane10422-35-245 % similar 2-Methyl-1-butanol137-32-645 % similar (S)-2-Methyl-1-butanol1565-80-645 % similar 2-Methyl-1-butanethiol1878-18-845 % similar (S)-(+)-1-Iodo-2-methylbutane29394-58-945 % 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 tert-Amyl chloride594-36-5 1-Chloro-2,2-dimethylpropane753-89-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook