Cyclohexylbenzene

C₁₂H₁₆CAS 827-52-1160.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₆
Molar mass: 160.26 g/mol
Exact mass: 160.1252 Da
Density: 0.982 g/mL (at 14 °C)
Melting point: 7.3 °C
Boiling point: 240.1 °C
logP: 3.73Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed19.1% of notifiers
H304 May be fatal if swallowed and enters airways71.2% of notifiers
H315 Causes skin irritation23.3% of notifiers
H319 Causes serious eye irritation21.9% of notifiers
H400 Very toxic to aquatic life93.5% of notifiers
H410 Very toxic to aquatic life with long lasting effects93.5% of notifiers

Aggregated from 215 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P321, P330, P331, P332+P317, P337+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

827-52-1

SMILES

c1ccc(C2CCCCC2)cc1

InChIKey

IGARGHRYKHJQSM-UHFFFAOYSA-N

InChI

InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2

Weigh it out

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

Names and synonyms

7 names

1,1′-Biphenyl, 1,2,3,4,5,6-hexahydro-
Benzene, cyclohexyl-
Cyclohexane, phenyl-
Phenylcyclohexane
4-Cyclohexylbenzene
NSC 40473
NSC 69101

Reactions

CYCLOHEXYLBENZENE (Cyclohexane, phenyl-)product

Work with Cyclohexylbenzene

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

1,4-Dicyclohexylbenzene1087-02-174 % similar 4-Phenylpiperidine771-99-358 % similar 4-Cyclohexylphenol1131-60-856 % similar 1-Bromo-4-cyclohexylbenzene25109-28-856 % similar 4-Cyclohexylbenzenamine6373-50-856 % similar 3-Phenylpiperidine3973-62-456 % similar 4-Phenylpiperidine hydrochloride10272-49-852 % similar 4-Phenylcyclohexanone4894-75-152 % similar

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

Same formula

4-tert-Butylstyrene1746-23-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia