chempirical

Cyclopentanecarbonyl chloride

C6H9ClOCAS 4524-93-0132.59 g/mol

Open in Covalent MOL file
OCl
Acyl halide

Properties

Molecular formula
C6H9ClO
Molar mass
132.59 g/mol
Exact mass
132.0342 Da
Boiling point
160–162 °C
logP
1.94Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
4524-93-0
SMILES
O=C(Cl)C1CCCC1
InChIKey
WEPUZBYKXNKSDH-UHFFFAOYSA-N
InChI
InChI=1S/C6H9ClO/c7-6(8)5-3-1-2-4-5/h5H,1-4H2

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Names and synonyms

4 names
  • Cyclopentanoyl chloride
  • Cyclopentylcarbonyl chloride
  • Cyclopentanecarboxylic acid chloride
  • 1-Cyclopentanecarbonyl chloride

Work with Cyclopentanecarbonyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cyclohexanecarbonyl chloride2719-27-994 % similar Cyclobutanecarbonyl chloride5006-22-489 % similar Cyclopropanecarbonyl chloride4023-34-178 % similar 2-Propylpentanoyl chloride2936-08-561 % similar Oxane-4-carbonyl chloride40191-32-061 % similar 2-Ethylhexanoyl chloride760-67-856 % similar 2-Ethylbutyryl chloride2736-40-552 % similar 1-Acetylpiperidine-4-carbonyl chloride59084-16-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chlorocyclohexanone822-87-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook