Cyclopentanepropanoyl chloride

C₈H₁₃ClOCAS 104-97-2160.64 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₃ClO
Molar mass: 160.64 g/mol
Exact mass: 160.0655 Da
Boiling point: 66 °C (at 1.5 Torr)
logP: 2.72Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage10.2% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

104-97-2

SMILES

O=C(Cl)CCC1CCCC1

InChIKey

SZQVEGOXJYTLLB-UHFFFAOYSA-N

InChI

InChI=1S/C8H13ClO/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2

Weigh it out

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

Names and synonyms

5 names

Cyclopentanepropionyl chloride
3-Cyclopentylpropionyl chloride
3-Cyclopentanepropionyl chloride
3-Cyclopentylpropanoyl chloride
3-Cyclopentylpropionic acid chloride

Work with Cyclopentanepropanoyl chloride

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

Adipoyl chloride111-50-262 % similar Glutaryl chloride2873-74-762 % similar Suberoyl chloride10027-07-359 % similar Sebacoyl chloride111-19-359 % similar Azelaoyl chloride123-98-859 % similar 4-Methylpentanoyl chloride38136-29-754 % similar Succinyl chloride543-20-452 % similar 4-Chlorobutyryl chloride4635-59-052 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook