1,3-Dichlorobutane

C4H8Cl2CAS 1190-22-3127.01 g/mol

Open in Covalent MOL file
ClCl
Alkyl halide

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 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, P501

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 (S)-(+)-2-Chloropropan-1-ol19210-21-041 % similar (R)-(-)-2-Chloropropan-1-ol37493-14-441 % 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

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

PubChem CAS Common Chemistry NIST WebBook