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

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

[1002752-51-3]
(S)-2-(3-Bromophenyl)-3-(4-chlorophenyl)-N-methoxy-N-methylpropanamide
[1002752-55-7]
(S)-2-(3-Bromophenyl)-3-(4-chlorophenyl)propanoic Acid
[76496-63-4]
(S)-2-(4-Chlorophenyl)-2-hydroxyacetic Acid
[777-33-3]
(S)-2-(Trifluoroacetamido)succinic Anhydride
[75885-58-4]
(S)-2,2-Dimethylcyclopropanecarboxamide
[354577-32-5]
(S)-2-[(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-(3-methylbenzylidene)propanehydrazide

Cyclohexane

[61204-01-1]
1-(trans-4-Amylcyclohexyl)-4-cyanobenzene
[191284-51-2]
1,1-Bicyclohexyl, 4-(methoxymethylene)-4-propyl-, trans-
[81750-69-8]
1-Cyclohexyl-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
[88416-93-7]
2(trans,trans)-4'-ethyl-[1,1'-Bicyclohexyl]-4-methanol
[367281-02-5]
2-cyclohexylpyrrolidine
[832741-02-3]
3-Cyclopropyl-2-thioxo-1,3-diazaspiro[4.5]decan-4-one

Nitrogen Compounds

[1306763-57-4]
(S)-1-Amino-2,3-dihydro-1H-indene-4-carbonitrile Hydrochloride
[65732-69-6]
(S)-2-Pyrrolidinecarbonitrile Hydrochloride
[34810-13-4]
9-Anthraldehyde oxime, predominantly syn
[113231-05-3]
(S)-N-(5-AMINO-1-CARBOXYPENTYL)IMINODIACETIC ACID HYDRATE
[1247163-72-9]
(S)-β-Fluorophenethylamine hydrochloride
[174677-82-8]
(S,S)-N,N'-Bis[2-(diphenylphosphino)benzylidene]cyclohexane-1,2-diamine

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