2,2-Dichloropropane

C3H6Cl2CAS 594-20-7112.98 g/mol

Open in Covalent MOL file
ClCl
Alkyl halide

Properties

Molecular formula
C3H6Cl2
Molar mass
112.98 g/mol
Exact mass
111.9847 Da
Density
1.1136 g/mL (at 20 °C)
Melting point
−33.8 °C
Boiling point
69.3 °C
logP
2.20Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 12 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P370+P378, P403+P235, P501

Identifiers

CAS number
594-20-7
SMILES
CC(C)(Cl)Cl
InChIKey
ZEOVXNVKXIPWMS-UHFFFAOYSA-N
InChI
InChI=1S/C3H6Cl2/c1-3(2,4)5/h1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Propane, 2,2-dichloro-
  • Dimethyldichloromethane
  • Dichlorodimethylmethane
  • R 270Aa

Work with 2,2-Dichloropropane

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

tert-Butyl chloride507-20-038 % similar 1,1,1-Trichloroethane71-55-638 % similar 1,1-Dichloro-1-fluoroethane1717-00-631 % similar 2,5-Dichloro-2,5-dimethylhexane6223-78-531 % similar 1-Chloro-1,1-difluoroethane75-68-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Dichloropropane142-28-9 1,2-Dichloropropane78-87-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook