Cyclohexanecarbonitrile - CAS 766-05-2

Catalog:	BB035630
Product Name:	Cyclohexanecarbonitrile
CAS:	766-05-2
Synonyms:	cyclohexanecarbonitrile

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	cyclohexanecarbonitrile
Description:	Cyclohexanecarbonitrile (CAS# 766-05-2) is a useful synthetic intermediate. It can be used as a reagent to synthesize Dicyclomine (D439300, HCl salt), a gastrointestinal antispasmodic antacid.
Molecular Weight:	109.17
Molecular Formula:	C7H11N
Canonical SMILES:	C1CCC(CC1)C#N
InChI:	InChI=1S/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H2
InChI Key:	VBWIZSYFQSOUFQ-UHFFFAOYSA-N
Boiling Point:	117-119 ℃ (90 mmHg)
Melting Point:	11 ℃
Purity:	98 %
Density:	0.919 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00040444
LogP:	2.09028

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CN-113372611-A	Super-absorbent polymer capable of improving absorption speed and preparation method and application thereof	20210607
CN-113041355-A	Co-delivery nano-drug capable of accurately regulating and controlling ratio of combined drug and application	20210421
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CN-112961079-A	Method for dehydrating primary amide into nitriles by cobalt catalysis	20210304
CN-112795047-A	Formula and processing technology of silica hydrogel lens	20201230

PMID	Publication Date	Title	Journal
21428406	20110428	N-(4-cyanotetrahydro-2H-pyran-4-yl) and N-(1-cyanocyclohexyl) derivatives of 1,5-diarylpyrazole-3-carboxamides showing high affinity for 18 kDa translocator protein and/or cannabinoid receptors	Journal of medicinal chemistry
22455076	20110101	Homogeneous dehydrogenation of liquid organic hydrogen carriers catalyzed by an iridium PCP complex	Faraday discussions
19812849	20091028	Study of supercooled orientationally disordered binary solid solutions II: cyclohexyl derivatives, neopentanol and neopentylglycol	Physical chemistry chemical physics : PCCP
19044871	20080907	Study of secondary relaxation in disordered plastic crystals of isocyanocyclohexane, cyanocyclohexane, and 1-cyanoadamantane	The Journal of chemical physics
12944645	20030901	Cis-bis(acetonitrile)tetrachlorotin(IV) acetonitrile solvate, cis-tetrachlorobis(propiononitrile)tin(IV) propiononitrile solvate, cis-tetrachlorobis(isobutyronitrile)tin(IV), cis-tetrachlorobis(cyclohexanecarbonitrile)tin(IV) and cis-tetrachlorobis(o-toluonitrile)tin(IV), all determined at ca 150 K	Acta crystallographica. Section C, Crystal structure communications

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

GHS Hazard Statement:	H301 (97.56%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P302+P352, P312, P321, P322, P330, P361, P363, P405, and P501
Signal Word:	Danger

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.089149355
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	109.089149355
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1