4-(4-Oxocyclohexyl)benzonitrile - CAS 73204-07-6

Name: 4-(4-Oxocyclohexyl)benzonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB053714
Product Name:	4-(4-Oxocyclohexyl)benzonitrile
CAS:	73204-07-6
Synonyms:	4-(4-CYANOPHENYL) CYCLOHEXANONE; 4-(4-OXOCYCLOHEXYL)BENZONITRILE; 4-(4-OXOCYCLOHEXY)BENZONITRILE

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-(4-oxocyclohexyl)benzonitrile
Molecular Weight:	199.25
Molecular Formula:	C13H13NO
Canonical SMILES:	C1CC(=O)CCC1C2=CC=C(C=C2)C#N
InChI:	InChI=1S/C13H13NO/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-4,12H,5-8H2
InChI Key:	XFRVACCGEKPJDI-UHFFFAOYSA-N
Boiling Point:	367.3±42.0 °C at 760 mmHg
Purity:	97%
Density:	1.1±0.1 g/cm3
Appearance:	Solid
Storage:	Sealed in dry. Room temperature.
MDL:	MFCD06410874

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Cyclohexane

[82832-73-3]C15H26O
4-(4-propylcyclohexyl)cyclohexanone
[3886-90-6]C20H41NO
N,N-dimethyloctadecanamide
[61204-01-1]C18H25N
1-(trans-4-Amylcyclohexyl)-4-cyanobenzene
[50654-43-8]C8H13NO
1-(Hydroxymethyl)cyclohexane-1-carbonitrile
[1033540-26-9]C18H32O
4-[2-(trans-4-Butylcyclohexyl)ethyl]cyclohexanone
[876761-00-1]C10H20N2O
3-Amino-N-cyclohexyl-N-methylpropanamide

Nitrogen Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[2006278-12-0]C13H9BrN2O
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[862649-86-3]C12H8ClNO5S
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[1354706-05-0]C6H9BrN2
3-Bromo-1-ethyl-5-methyl-1H-pyrazole
[7492-88-8]C6H10N2
3-piperidinecarbonitrile
[5334-43-0]C10H8N4
5-Amino-1-phenylpyrazole-4-carbonitrile

Precautionary Statement:	P280-P305+P351+P338
Signal Word:	Warning

Complexity:	270
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.099714038
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.099714038
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9