chempirical

2,3-Dichlorobutane

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

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

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

PubChem CAS Common Chemistry NIST WebBook