Cyclohexyl chloride
Properties
- Molecular formula
- C6H11Cl
- Molar mass
- 118.60 g/mol
- Exact mass
- 118.0549 Da
- Density
- 1 g/mL (at 20 °C)
- Melting point
- −44 °C
- Boiling point
- 142 °C
- Flash point
- 32.2 °C
- logP
- 2.56Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H312 Harmful in contact with skin14.9% of notifiers
- H315 Causes skin irritation97.3% of notifiers
- H319 Causes serious eye irritation97.3% of notifiers
- H335 May cause respiratory irritation96.8% of notifiers
- H411 Toxic to aquatic life with long lasting effects72.3% of notifiers
Aggregated from 188 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
542-18-7SMILES
ClC1CCCCC1InChIKey
UNFUYWDGSFDHCW-UHFFFAOYSA-NInChI
InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Cyclohexane, chloro-
- Chlorocyclohexane
- Monochlorocyclohexane
- NSC 8434
Work with Cyclohexyl 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
Chlorocycloheptane2453-46-5100 % similar
Chlorocyclopentane930-28-992 % similar
Chlorocyclobutane1120-57-677 % similar
4-Chlorotetrahydro-2H-pyran1768-64-544 % similar
Bicyclohexyl92-51-340 % similar
4-Chloropiperidine hydrochloride5382-19-438 % similar
4-Chloro-1-methylpiperidine5570-77-438 % similar
16,17-Dichloroheptadecanoic acid116409-75-738 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds