1,2-Dichloro-2-methylpropane

C4H8Cl2CAS 594-37-6127.01 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
1.093 g/mL (at 20 °C)
Boiling point
106.5 °C
logP
2.24Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 145 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, 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
594-37-6
SMILES
CC(C)(Cl)CCl
InChIKey
OQPNDCHKFIHPBY-UHFFFAOYSA-N
InChI
InChI=1S/C4H8Cl2/c1-4(2,6)3-5/h3H2,1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Propane, 1,2-dichloro-2-methyl-
  • (Chloromethyl)chlorodimethylmethane
  • NSC 166449
  • 2-Methyl-1,2-dichloropropane
  • 1,2-Dichloroisobutane

Work with 1,2-Dichloro-2-methylpropane

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

2,5-Dichloro-2,5-dimethylhexane6223-78-553 % similar tert-Amyl chloride594-36-547 % similar 2,2-Dimethyl-1,3-dichloropropane29559-55-544 % similar 1-Chloro-2,2-dimethylpropane753-89-944 % similar 1,2-Dichloro-2-fluoropropane420-97-341 % similar 1,2,2,3-Tetrachloropropane13116-53-539 % similar 1,1,1,2-Tetrachloroethane630-20-639 % similar 1-Chloro-2-methylpropan-2-ol558-42-938 % 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-Dichlorobutane616-21-7 2,3-Dichlorobutane7581-97-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook