4-(4-Oxocyclohexyl)benzonitrile

Basic Information

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CAS Number

73204-07-6

Molecular Formula

C13H13NO

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

121-126°C

SMILES

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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

InChIKey

XFRVACCGEKPJDI-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

270

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-(4-Oxocyclohexyl)-benzonitrile
SY107144
AS-17695
AKOS006292050
MFCD06410874
AC-1811
4-(4-Cyanophenyl)cyclohexanone
4-(4-oxocyclohexyl)benzonitrile;4-(4-Cyanophenyl)cyclohexanone
4-(4-oxo-cyclohexyl)-benzonitrile
DTXSID70578342
4-(4'-cyanophenyl)cyclohexanone
4-(4-Cyanophenyl) Cyclohexanone
A851983
CS-0042840
SCHEMBL250838
4-(P-CYANOPHENYL)CYCLOHEXANONE
73204-07-6
N10455
4-(p-cyanophenyl)-cyclohexanone
AB25044
4-(4-Oxocyclohexyl)benzonitrile
XFRVACCGEKPJDI-UHFFFAOYSA-N
FT-0602801
4-(4-OXOCYCLOHEXYL)-BENZONITRILE
Benzonitrile, 4-(4-oxocyclohexyl)-
4-(4-cyano-phenyl)-cyclohexanone
4-(4-oxocyclohexyl)benzenecarbonitrile
4-(p-cyanophenyl)cyclohexanone
CTK7C7707
SBB055475
SureCN250838

MDL Number

MFCD06410874

Customs Code

2926909090

FAQ

What is 4-(4-Oxocyclohexyl)benzonitrile (CAS: 73204-07-6)?

4-(4-Oxocyclohexyl)benzonitrile (CAS: 73204-07-6) is an organic compound with the molecular formula C10H12N. It is a white solid with a distinctive odor. This compound is used in various applications including pharmaceuticals, dyes, and coatings due to its chemical stability and functionality.

What are the main uses of 4-(4-Oxocyclohexyl)benzonitrile (CAS: 73204-07-6)?

4-(4-Oxocyclohexyl)benzonitrile (CAS: 73204-07-6) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the production of dyes and coatings, offering a range of functional properties due to its chemical structure and reactivity.

Is 4-(4-Oxocyclohexyl)benzonitrile (CAS: 73204-07-6) safe?

4-(4-Oxocyclohexyl)benzonitrile (CAS: 73204-07-6) is generally safe when handled under proper conditions. However, it is important to follow safety guidelines, including the use of personal protective equipment (PPE) and proper ventilation. Direct contact with skin or ingestion can cause irritation and should be avoided.

How should 4-(4-Oxocyclohexyl)benzonitrile (CAS: 73204-07-6) be stored?

4-(4-Oxocyclohexyl)benzonitrile (CAS: 73204-07-6) should be stored in a cool, dry place, away from direct sunlight and heat sources. Containers should be tightly sealed and kept in a well-ventilated area. It is advisable to store this compound in a dark, cool environment to prevent degradation and maintain its stability.