4-(4-Ethylcyclohexyl)benzonitrile

Basic Information

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CAS Number

73592-81-1

Molecular Formula

C15H19N

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

41 °C

Boiling Point

336.827 °C at 760 mmHg

Density

0.99

Flash Point

158.222 °C

SMILES

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CCC1CCC(CC1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H19N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h5-6,9-10,12,14H,2-4,7-8H2,1H3

InChIKey

BBHJTCADCKZYSO-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

246

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

FT-0655729
trans-4-(4-Ethylcyclohexyl)benzonitrile
4-(4-Ethylcyclohexyl)benzonitrile, (E)-
InChI=1/C15H19N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h5-6,9-10,12,14H,2-4,7-8H2,1H3
4-(trans-4-Ethylcyclohexyl)benzonitrile
AMY25190
PCH2
trans-4-Ethylcyclohexyl-4'-benzonitrile
CS-W014966
1-Cyano-4-(trans-4-ethylcyclohexyl)benzene
NS00060019
DS-15540
4-(Trans-4-Ethylcyclohexyl)-benzonitrile
BBHJTCADCKZYSO-UHFFFAOYSA-
AKOS015888898
72928-54-2
F16556
4-(4-ethylcyclohexyl)benzenecarbonitrile
YCA59281
EINECS 277-084-2
DS-13122
BBHJTCADCKZYSO-UHFFFAOYSA-N
AKOS015838521
SCHEMBL7899393
DTXSID20888322
FT-0689228
SB66612
4-(4-Ethylcyclohexyl)benzonitrile
73592-81-1
4-(trans-4-ethylcyclohexyl)- Benzonitrile
MFCD09750932

MDL Number

MFCD09750932

FAQ

What are the physical and chemical properties of 4-(4-Ethylcyclohexyl)benzonitrile (CAS: 73592-81-1)?

4-(4-Ethylcyclohexyl)benzonitrile (CAS: 73592-81-1) is a colorless to white crystalline solid. It has a molecular weight of approximately 210.21 g/mol and a melting point of 58-60°C. This compound is slightly soluble in water but readily soluble in organic solvents such as ethanol and dichloromethane. It is relatively stable under normal conditions but can undergo hydrolysis in the presence of strong acids or bases. Its chemical reactivity is low, but it can undergo electrophilic aromatic substitution reactions.

How is 4-(4-Ethylcyclohexyl)benzonitrile (CAS: 73592-81-1) typically synthesized?

4-(4-Ethylcyclohexyl)benzonitrile (CAS: 73592-81-1) is typically synthesized via a Friedel-Crafts alkylation reaction. The process involves the reaction of benzyl nitrile with 1-ethylcyclohexane in the presence of a Lewis acid catalyst like aluminum chloride. The reaction yields a high selectivity towards the desired product with a good yield. Post-reaction, purification is achieved through recrystallization or distillation.

What industries use 4-(4-Ethylcyclohexyl)benzonitrile (CAS: 73592-81-1)?

4-(4-Ethylcyclohexyl)benzonitrile (CAS: 73592-81-1) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry as a monomer or additive, in the production of sensors due to its chemical stability, and in the semiconductor industry for specific applications where its thermal and chemical properties are advantageous.

What precautions should be taken when handling 4-(4-Ethylcyclohexyl)benzonitrile (CAS: 73592-81-1)?

When handling 4-(4-Ethylcyclohexyl)benzonitrile (CAS: 73592-81-1), use appropriate personal protective equipment (PPE) such as gloves and safety glasses. Store the compound in a well-ventilated area away from heat and sources of ignition. Work in a fume hood during synthesis and use proper spill cleanup procedures. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal. Ensure that all containers are properly labeled and stored in a secure location to prevent accidental exposure or contamination.