1,2-Dichlorobutane

C₄H₈Cl₂CAS 616-21-7127.01 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₈Cl₂
Molar mass: 127.01 g/mol
Exact mass: 126.0003 Da
Density: 1.1116 g/mL (at 25 °C)
Boiling point: 124.1 °C
logP: 2.24Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Identifiers

CAS number

616-21-7

SMILES

CCC(Cl)CCl

InChIKey

PQBOTZNYFQWRHU-UHFFFAOYSA-N

InChI

InChI=1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3

Weigh it out

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

Names and synonyms

4 names

Butane, 1,2-dichloro-
Dl-1,2-Dichlorobutane
(±)-1,2-Dichlorobutane
NSC 93880

Work with 1,2-Dichlorobutane

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

1,2,3-Trichloropropane96-18-459 % similar 1,2-Dichloropentane1674-33-555 % similar 1-Chloro-2-methylbutane616-13-745 % similar (±)-2,3-Dichloro-1-propanol616-23-945 % similar 3-(Chloromethyl)heptane123-04-637 % similar 2-Chlorobutane78-86-436 % similar 1,2-Dichloropropane78-87-536 % similar 1,1,2-Trichloroethane79-00-535 % similar

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

Same formula

1,4-Dichlorobutane110-56-5 1,3-Dichlorobutane1190-22-3 1,2-Dichloro-2-methylpropane594-37-6 2,3-Dichlorobutane7581-97-7

Elsewhere

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