4-Methyl-4'-pentylbiphenyl

Basic Information

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CAS Number

64835-63-8

Molecular Formula

C18H22

Molecular Weight

238.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

47.0 to 51.0 deg-C

Boiling Point

350.5 °C at 760 mmHg

Density

0.94

Flash Point

177.2 °C

Refractive Index

1.537

SMILES

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CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H22/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17/h7-14H,3-6H2,1-2H3

InChIKey

ZGBOHJUSTPZQPL-UHFFFAOYSA-N

LogP

5.394720000000005

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

204

Synonyms & References

English

4-Methyl-4'-pentyl-1,1'-biphenyl
DTXSID2070130
M2885
4-Amyl-4'-methylbiphenyl
70074-09-8
4-METHYL-4'-PENTYL-BIPHENYL
4-Pentyl-4'-methylbiphenyl
4'-Methyl-4-pentylbiphenyl, >/=98%
BS-52237
CS-0183012
64835-63-8
1,1'-Biphenyl, 4-methyl-4'-pentyl-
RO-CM-9001
1-(4-methylphenyl)-4-pentylbenzene
4'-Methyl-4-pentylbiphenyl
4-Methyl-4-pentyl-1,1-biphenyl
NS00035750
EINECS 265-248-6
AKOS015918013
MFCD11053476
1-methyl-4-(4-pentylphenyl)benzene
FT-0739805
1,1'-Biphenyl,4-methyl-4'-pentyl-
4-methyl-4'-pentyl-1,1'-biphenyl
1'-Biphenyl,4-methyl-4'-pentyl-1
4-methyl-4'-pentyl-1'-biphenyl
4-METHYL-4''-PENTYL-BIPHENYL
4-Methyl-4'-pentylbiphenyl
4-methyl-4\\'-pentyl-1,1\\'-biphenyl
1-(4-METHYLPHENYL)-4-PENTYL-BENZENE

MDL Number

MFCD11053476

Customs Code

2902909090

FAQ

What are the physical and chemical properties of 4-Methyl-4'-pentylbiphenyl (CAS: 64835-63-8)?

4-Methyl-4'-pentylbiphenyl is a clear, colorless liquid with a molecular weight of approximately 224.34 g/mol. It has a melting point of -43.7°C, a boiling point of 222-225°C, and a solubility in water of less than 0.1 g/L. It is moderately reactive and may undergo substitution reactions under certain conditions.

How is 4-Methyl-4'-pentylbiphenyl (CAS: 64835-63-8) typically synthesized?

4-Methyl-4'-pentylbiphenyl is typically synthesized via a Friedel-Crafts alkylation reaction where a methyl group is introduced to the ortho position of a biphenyl derivative followed by alkylation using pentyl bromide. The reaction is catalyzed by aluminum chloride and proceeds with high selectivity and yield.

What industries use 4-Methyl-4'-pentylbiphenyl (CAS: 64835-63-8)?

4-Methyl-4'-pentylbiphenyl is used in various industries, including pharmaceuticals for drug intermediates, in the polymer industry for speciality plastics and coatings, and in the sensor industry for its use in gas sensing applications. It is also explored in the semiconductor industry for its electronic properties.

What precautions should be taken when handling 4-Methyl-4'-pentylbiphenyl (CAS: 64835-63-8)?

Proper personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat should be worn when handling 4-Methyl-4'-pentylbiphenyl. It should be stored in a cool, well-ventilated area away from heat sources and incompatible materials. In case of spill, use appropriate spill response materials and refer to the Safety Data Sheet (SDS) for detailed instructions.