1,3-Dichlorobutane

C₄H₈Cl₂CAS 1190-22-3127.01 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₈Cl₂
Molar mass: 127.01 g/mol
Exact mass: 126.0003 Da
Density: 1.1158 g/mL (at 20 °C)
Boiling point: 134 °C
logP: 2.24Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Identifiers

CAS number

1190-22-3

SMILES

CC(Cl)CCCl

InChIKey

QBGVARBIQGHVKR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Butane, 1,3-dichloro-

Work with 1,3-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-Chloro-3-methylbutane107-84-650 % similar 1,2-Dichloropropane78-87-550 % similar 2-Chlorobutane78-86-443 % similar Propylene chlorohydrin78-89-741 % similar 3-Chloro-1,1-diethoxypropane35573-93-435 % similar 2-Chloro-N,N-dimethyl-1-propanamine hydrochloride4584-49-033 % similar Tris(2-chloropropyl) phosphate6145-73-932 % similar

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

Same formula

1,4-Dichlorobutane110-56-5 1,2-Dichloro-2-methylpropane594-37-6 1,2-Dichlorobutane616-21-7 2,3-Dichlorobutane7581-97-7

Elsewhere

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