1-Cyclohexenylacetonitrile - CAS 6975-71-9

Catalog:	BB033960
Product Name:	1-Cyclohexenylacetonitrile
CAS:	6975-71-9
Synonyms:	2-(cyclohexen-1-yl)acetonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-(cyclohexen-1-yl)acetonitrile
Description:	1-Cyclohexenylacetonitrile (CAS# 6975-71-9) is used as a reagent for the cost-effective synthesis of 5-substituted 1H-tetrazoles from nitriles and sodium azide.
Molecular Weight:	121.18
Molecular Formula:	C8H11N
Canonical SMILES:	C1CCC(=CC1)CC#N
InChI:	InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-6H2
InChI Key:	OYEXEQFKIPJKJK-UHFFFAOYSA-N
Boiling Point:	144-144 ℃ (90 mmHg)
Density:	0.947 g/cm³
Appearance:	Clear yellow to orange liquid
MDL:	MFCD00001566
LogP:	2.40048

Publication Number	Title	Priority Date
CN-112713302-A	Flame-retardant polymer gel electrolyte composition, gel electrolyte, and preparation method and application thereof	20201231
CN-112133961-A	Gel electrolyte precursor and application thereof	20200918
CN-111807968-A	Synthetic method of 2- (1-cyclohexenyl) ethylamine	20200701
CN-111253404-A	Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof	20181130
WO-2020108659-A1	Nitrogen-containing heterocyclic compound and composition thereof, preparation method therefor, and application thereof	20181130

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Related Functional Groups

Nitrogen Compounds

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[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

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GHS Hazard Statement:	H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	121.089149355
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	121.089149355
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7