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1-(Chloromethyl)-4-methylcyclohexane

1-(Chloromethyl)-4-methylcyclohexane - CAS 1073-68-3

Catalog:	BB002066
Product Name:	1-(Chloromethyl)-4-methylcyclohexane
CAS:	1073-68-3
Synonyms:	1-(chloromethyl)-4-methylcyclohexane; 1-(chloromethyl)-4-methylcyclohexane

Technical Data

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Computed Properties

IUPAC Name:	1-(chloromethyl)-4-methylcyclohexane
Description:	1-(Chloromethyl)-4-methylcyclohexane (CAS# 1073-68-3 ) is a useful research chemical.
Molecular Weight:	146.66
Molecular Formula:	C8H15Cl
Canonical SMILES:	CC1CCC(CC1)CCl
InChI:	InChI=1S/C8H15Cl/c1-7-2-4-8(6-9)5-3-7/h7-8H,2-6H2,1H3
InChI Key:	UURNLXIWBYIBFP-UHFFFAOYSA-N
LogP:	3.05150

Publication Number	Title	Priority Date
ES-2779225-T3	Substituted merylformyl reagents and procedure for their use to modify physicochemical and / or pharmacokinetic properties of compounds	20110408
CN-101565363-B	Method for preparing 4-[2'-(trans-4'-alkylcyclohexyl)ethyl] cyclohexanone liquid crystal intermediate compound	20090528
US-2010197516-A1	Detechip: molecular color and fluorescent sensory arrays for small molecules	20080715
US-2010184986-A1	Sulfonamide-based organocatalysts and method for their use	20070917
EP-2206695-A1	Tetra- or penta-cyclic liquid crystalline compound having lateral fluorine, liquid crystal composition, and liquid crystal display element	20070906

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GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	72.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.0862282
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	146.0862282
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4