Phenylcyclohexane - CAS 827-52-1

Catalog:	BB036897
Product Name:	Phenylcyclohexane
CAS:	827-52-1
Synonyms:	cyclohexylbenzene

Technical Data

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Computed Properties

IUPAC Name:	cyclohexylbenzene
Description:	Phenylcyclohexane (CAS# 827-52-1) is a useful synthetic intermediate. It is used to synthesize 4-Cyclohexyl-benzenethiol (C989250).
Molecular Weight:	160.26
Molecular Formula:	C12H16
Canonical SMILES:	C1CCC(CC1)C2=CC=CC=C2
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
InChI Key:	IGARGHRYKHJQSM-UHFFFAOYSA-N
Boiling Point:	238-240 ℃
Purity:	96 %
Density:	0.95 g/cm³
Appearance:	Liquid
MDL:	MFCD00001451
LogP:	3.73430
Vapor Pressure:	0.03 [mmHg]

Publication Number	Title	Priority Date
CN-113429302-A	Naphthofluorene derivative, luminescent material, luminescent element and consumer product	20210827
CN-113429348-A	Anthracene imidazole derivative, organic electroluminescent material and consumer product	20210827
CN-113429385-A	Thioxanthene derivatives and their use	20210827
CN-113429393-A	Anthracene-indole derivative, material for organic electroluminescent element, light-emitting element, and consumer product	20210826
CN-113429395-A	Imidazole derivative, organic electroluminescent material, light-emitting element, and consumer product	20210727

PMID	Publication Date	Title	Journal
22349230	20120301	Structure and function of CYP108D1 from Novosphingobium aromaticivorans DSM12444: an aromatic hydrocarbon-binding P450 enzyme	Acta crystallographica. Section D, Biological crystallography
21253635	20110314	Restricted rotation due to the lack of free space within a capsule translates into product selectivity: photochemistry of cyclohexyl phenyl ketones within a water-soluble organic capsule	Chemical communications (Cambridge, England)
21515965	20110101	[Safety verification for reuse of PET and glass bottles]	Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan
20969571	20101201	Voltage-dependent and -independent block of α-amino-3-hydroxy-5-methylisoxazole-4-propionate receptor channels	Journal of neurochemistry
21588242	20100703	Diethyl 4-hy-droxy-4-methyl-6-oxo-2-phenyl-cyclo-hexane-1,3-dicarboxyl-ate	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302 (73.21%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P310, P301+P312, P302+P352, P305+P351+P338, P321, P330, P331, P332+P313, P337+P313, P362, P391, P405, and P501
Signal Word:	Danger

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.125200510
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.125200510
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.9