2,2-Dimethyl-1,3-dichloropropane

C₅H₁₀Cl₂CAS 29559-55-5141.03 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₁₀Cl₂
Molar mass: 141.03 g/mol
Exact mass: 140.0160 Da
logP: 2.49Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H411 Toxic to aquatic life with long lasting effects99% of notifiers

Aggregated from 105 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P391, P403+P235, P501

Identifiers

CAS number

29559-55-5

SMILES

CC(C)(CCl)CCl

InChIKey

KTWNITKLQPCZSL-UHFFFAOYSA-N

InChI

InChI=1S/C5H10Cl2/c1-5(2,3-6)4-7/h3-4H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

Propane, 1,3-dichloro-2,2-dimethyl-

Work with 2,2-Dimethyl-1,3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Chloro-2,2-dimethylpropanol13401-56-461 % similar 1-Chloro-2,2-dimethylpropane753-89-950 % similar 1,2-Dichloro-2-methylpropane594-37-644 % similar 1-Chloro-2-methylpropan-2-ol558-42-942 % similar 1,3-Dichloro-2,2-bis(chloromethyl)propane3228-99-740 % similar 1,2-Dichloro-2-fluoropropane420-97-338 % similar 2-(Chloromethyl)-2-methyloxirane598-09-438 % similar 1,2-Dichloro-1,1-difluoroethane1649-08-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Dichloropentane1674-33-5 1,5-Dichloropentane628-76-2

Elsewhere

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