1,7-Dichloroheptan-4-one

C₇H₁₂Cl₂OCAS 40624-07-5183.07 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₇H₁₂Cl₂O
Molar mass: 183.07 g/mol
Exact mass: 182.0265 Da
logP: 2.59Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

40624-07-5

SMILES

C(CC(=O)CCCCl)CCl

InChIKey

SCKUIKDAPAUGBE-UHFFFAOYSA-N

InChI

InChI=1S/C7H12Cl2O/c8-5-1-3-7(10)4-2-6-9/h1-6H2

Weigh it out

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

Names and synonyms

1 names

1,7-Dichloro-heptan-4-one

Work with 1,7-Dichloroheptan-4-one

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

1,5-Dichloro-3-pentanone3592-25-467 % similar Cyclobutanone1191-95-359 % similar Cyclopentanone120-92-359 % similar Cyclohexanone108-94-156 % similar Cyclodecanone1502-06-356 % similar Cycloheptanone502-42-156 % similar Cyclooctanone502-49-856 % similar Cyclopentadecanone502-72-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook