Cyclopropanecarbonyl chloride
Properties
- Molecular formula
- C4H5ClO
- Molar mass
- 104.53 g/mol
- Exact mass
- 104.0029 Da
- Melting point
- 77.5–78.5 °C
- Boiling point
- 109–112 °C
- logP
- 1.16Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H226 Flammable liquid and vapor86.3% of notifiers
- H290 May be corrosive to metals38.5% of notifiers
- H301 Toxic if swallowed67.8% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage58.9% of notifiers
- H335 May cause respiratory irritation17.8% of notifiers
Aggregated from 270 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P234, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, P501
Identifiers
CAS number
4023-34-1SMILES
O=C(Cl)C1CC1InChIKey
ZOOSILUVXHVRJE-UHFFFAOYSA-NInChI
InChI=1S/C4H5ClO/c5-4(6)3-1-2-3/h3H,1-2H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Cyclopropylcarbonyl chloride
- Cyclopropanecarboxylic acid chloride
- Cyclopropanoyl chloride
- Cyclopropylcarboxylic acid chloride
Work with Cyclopropanecarbonyl 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
Cyclopentanecarbonyl chloride4524-93-078 % similar
Cyclobutanecarbonyl chloride5006-22-478 % similar
Cyclohexanecarbonyl chloride2719-27-974 % similar
2-Propylpentanoyl chloride2936-08-567 % similar
Oxane-4-carbonyl chloride40191-32-067 % similar
2-Ethylbutyryl chloride2736-40-557 % similar
1-Acetylpiperidine-4-carbonyl chloride59084-16-152 % similar
2-Ethylhexanoyl chloride760-67-848 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.