4'-Pentyl-4-biphenylcarbonitrile

Basic Information

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CAS Number

40817-08-1

Molecular Formula

C18H19N

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

34 ºC

Boiling Point

215°C/3mmHg

Refractive Index

n20/D 1.532(lit.)

SMILES

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N#CC1=CC=C(C2=CC=C(CCCCC)C=C2)C=C1

InChI

InChI=1S/C18H19N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h6-13H,2-5H2,1H3

InChIKey

HHPCNRKYVYWYAU-UHFFFAOYSA-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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

4'-Pentyl-[1,1'-biphenyl]-4-carbonitrile
4’-pentyl-biphenyl-4-carbonitrile
4-cyano-4’-pentyldiphenyl
4'-Pentyl[1,1'-biphenyl]-4-carbonitrile
CB5
p-Cyano-p’-pentylbiphenyl
RO-CM-5115
TIMTEC-BB SBB008542
[4-(4'-N-PENTYLPHENYL)BENZONITRILE]
4-Cyano-4'-pentylbiphenyl
4-Cyano-4'-n-pentylbiphenyl
4'-Pentyl-4-biphenylcarbonitrile
4-cyano-4'-pentyldiphenyl
4-Pentyl-4’-cyanobiphenyl
4′-Pentyl-4-biphenylcarbonitrile
4'-Amyl-4-biphenylcarbonitrile
4-AMyl-4-Biphenylcarbonitrile
4-Amyl-4'-cyanobiphenyl
4-Cyano-4‘-N-pentylbiphenyl
4-cyano-4'-n-pentyl-biphenyl
4-Cyano-4'-pentybiphenyl
4-Cyano-4-pentylbiphenyl 4-Pentyl-4-cyanobiphenyl 5CB
4-n-pentyl-4'-cyanobiphenyl
4-penty-4'-cyanobiphenyl
5CB
4-Cyano-4-pentylbiphenyl
4-Pentyl-4-cyanobiphenyl
4-(4'-Pentylphenyl)benzonitrile
[1,1'-Biphenyl]-4-carbonitrile, 4'-pentyl-
4-Pentyl-4'-cyanobiphenyl
4'-pentylbiphenyl-4-carbonitrile

MDL Number

MFCD00036350

Customs Code

2926909090

FAQ

What is 4'-Pentyl-4-biphenylcarbonitrile (CAS: 40817-08-1)?

4'-Pentyl-4-biphenylcarbonitrile (CAS: 40817-08-1) is an organic compound with the chemical formula C16H16N. It is a derivative of biphenyl, featuring a pentyl group attached to the 4' position and a nitrile functional group at the 4 position. This compound is known for its aromatic structure and is used in various chemical applications. It is typically a solid at room temperature and has low solubility in water.

What are the main uses of 4'-Pentyl-4-biphenylcarbonitrile (CAS: 40817-08-1)?

4'-Pentyl-4-biphenylcarbonitrile (CAS: 40817-08-1) is primarily used in pharmaceutical research as a potential intermediate in drug development. It also finds applications in organic synthesis, materials science, and as a component in certain specialty coatings or polymers. Its unique structure makes it valuable for developing compounds with specific biological or physical properties.

Is 4'-Pentyl-4-biphenylcarbonitrile (CAS: 40817-08-1) safe?

4'-Pentyl-4-biphenylcarbonitrile (CAS: 40817-08-1) is generally considered safe when handled properly. However, as with many organic compounds, it may cause irritation if inhaled, ingested, or contacted with skin. Safety standards recommend using appropriate personal protective equipment (PPE) and ensuring good ventilation during handling. Always follow standard chemical safety protocols when working with this compound.

How should 4'-Pentyl-4-biphenylcarbonitrile (CAS: 40817-08-1) be stored?

4'-Pentyl-4-biphenylcarbonitrile (CAS: 40817-08-1) should be stored in a cool, dry, and well-ventilated area away from direct light. It is best kept in sealed, airtight containers to prevent moisture absorption and contamination. Due to its chemical stability, it does not require refrigeration but should be protected from heat and humidity to maintain integrity and prolong shelf life.