4-(trans-4-Pentylcyclohexyl)benzonitrile

Basic Information

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CAS Number

61204-01-1

Molecular Formula

C18H25N

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

30°C

Boiling Point

381°C at 760 mmHg

Density

0.9700

Refractive Index

1.522

SMILES

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CCCCCC1CCC(CC1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H25N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h8-9,12-13,15,17H,2-7,10-11H2,1H3/t15-,17-

InChIKey

FURZYCFZFBYJBT-JCNLHEQBSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

284

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

Synonyms & References

English

4-(4-Pentylcyclohexyl)benzonitrile #
4-((1s,4r)-4-pentylcyclohexyl)benzonitrile
EINECS 262-656-6
MFCD00075548
Cyclohexanecarbonitrile,4-(4-pentylphenyl)-,trans-
SCHEMBL2370340
4-(trans-4-Amylcyclohexyl)benzonitrile
Benzonitrile, 4-(trans-4-pentylcyclohexyl)-
DTXSID00886422
FT-0640737
NS00053367
SCHEMBL17447092
4-(trans-4-Pentylcyclohexyl)benzonitrile
SCHEMBL13390072
DTXSID40978451
4-(trans-4-Pentylcyclohexyl)-benzonitrile
trans-4-Pentyl(4-cyanophenyl)cyclohexane
CS-W012574
trans-4-pentylcyclohexyl-4 inverted exclamation mark -benzonitrile
FURZYCFZFBYJBT-JCNLHEQBSA-N
AKOS022177569
4-(4-pentyl-cyclohexyl)-benzonitrile
DS-15536
4-(trans-4-n-pentylcyclohexyl)benzonitrile
4-(TRANS-4'-N-PENTYLCYCLOHEXYL)BENZONITRILE
62788-05-0
AMY25192
W-105178
Benzonitrile, 4-(4-pentylcyclohexyl)-
1-(trans-4-Amylcyclohexyl)-4-cyanobenzene
FURZYCFZFBYJBT-UHFFFAOYSA-N

MDL Number

MFCD00075548

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 4-(trans-4-Pentylcyclohexyl)benzonitrile (CAS: 61204-01-1)?

4-(trans-4-Pentylcyclohexyl)benzonitrile (CAS: 61204-01-1) is a colorless to light yellow liquid at room temperature. It has a molecular weight of approximately 222.23 g/mol and a high boiling point of 226-228°C. It is only slightly soluble in water but soluble in common organic solvents. The compound shows low reactivity under normal conditions but can undergo hydrogenation with palladium catalysts.

How is 4-(trans-4-Pentylcyclohexyl)benzonitrile (CAS: 61204-01-1) typically synthesized?

4-(trans-4-Pentylcyclohexyl)benzonitrile is typically synthesized via a multistep process. First, 4-pentylcyclohexanone is reacted with sodium bis(trimethylsilyl)amide (SBTMA) to form a nitrile. Then, the product is deprotected under acidic conditions. This process requires the use of appropriate solvents and catalysts to achieve good yield and selectivity.

What industries use 4-(trans-4-Pentylcyclohexyl)benzonitrile (CAS: 61204-01-1)?

4-(trans-4-Pentylcyclohexyl)benzonitrile (CAS: 61204-01-1) is used in the pharmaceutical industry for the synthesis of certain drugs. It is also employed in the polymer industry as a monomer or additive due to its thermal stability and chemical resistance. Additionally, it has applications in the production of sensors and semiconductors due to its electronic properties.

What precautions should be taken when handling 4-(trans-4-Pentylcyclohexyl)benzonitrile (CAS: 61204-01-1)?

When handling 4-(trans-4-Pentylcyclohexyl)benzonitrile (CAS: 61204-01-1), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for specific disposal instructions.