1,4-Dichlorobutane

C₄H₈Cl₂CAS 110-56-5127.01 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₄H₈Cl₂
Molar mass: 127.01 g/mol
Exact mass: 126.0003 Da
Density: 1.1598 g/mL (at 20 °C)
Melting point: −37.3 °C
Boiling point: 161 °C
Flash point: 40 °C
logP: 2.24Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Warning

H226 Flammable liquid and vapor99.6% of notifiers
H315 Causes skin irritation64.7% of notifiers
H319 Causes serious eye irritation18.3% of notifiers
H335 May cause respiratory irritation18.3% of notifiers
H412 Harmful to aquatic life with long lasting effects57.1% of notifiers

Aggregated from 224 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

110-56-5

SMILES

ClCCCCCl

InChIKey

KJDRSWPQXHESDQ-UHFFFAOYSA-N

InChI

InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2

Weigh it out

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

Names and synonyms

3 names

Butane, 1,4-dichloro-
NSC 6288
4-Chlorobutyl chloride

Work with 1,4-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

1,10-Dichlorodecane2162-98-389 % similar 1,8-Dichlorooctane2162-99-489 % similar 1,6-Dichlorohexane2163-00-089 % similar 1,5-Dichloropentane628-76-289 % similar 1,3-Dichloropropane142-28-978 % similar 1-Chloro-4-iodobutane10297-05-957 % similar 1-Chloropentane543-59-957 % similar 1,1′-Oxybis[4-chlorobutane]6334-96-957 % similar

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

Same formula

1,3-Dichlorobutane1190-22-3 1,2-Dichloro-2-methylpropane594-37-6 1,2-Dichlorobutane616-21-7 2,3-Dichlorobutane7581-97-7

Elsewhere

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