2,3-Dichlorobutane

C₄H₈Cl₂CAS 7581-97-7127.01 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: 1.1051 g/mL (at 25 °C)
Melting point: −80 °C
Boiling point: 118 °C
logP: 2.24Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed82.6% of notifiers
H317 May cause an allergic skin reaction82.6% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P321, P330, P333+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

7581-97-7

SMILES

CC(Cl)C(C)Cl

InChIKey

RMISVOPUIFJTEO-UHFFFAOYSA-N

InChI

InChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

1 names

Butane, 2,3-dichloro-

Work with 2,3-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

1,1-Dichloroethane1300-21-638 % similar Isopropyl chloride75-29-638 % similar 1,1-Dichloroethane75-34-338 % 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 1,2-Dichlorobutane616-21-7

Elsewhere

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