4-Methylbiphenyl

Basic Information

View in Editor

CAS Number

644-08-6

Molecular Formula

C13H12

Molecular Weight

168.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

46.0 to 49.0 deg-C

Boiling Point

268°C

Density

1.015

Water Solubility

Insoluble in water. Soluble in alcohol and ether, very soluble in organic solvents.

Refractive Index

1.5761 (estimate)

SMILES

View in Editor

CC1=CC=C(C2=CC=CC=C2)C=C1

InChI

InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3

InChIKey

ZZLCFHIKESPLTH-UHFFFAOYSA-N

LogP

3.662020000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

136

Safety Information

View Safety Information

GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

4-Methyl-1,1'-biphenyl
4-Methylbiphenyl
4-Phenyltoluene
1-methyl-4-phenylbenzene
4-Methylbiphenyl Solution
4-Methylbiphenyl1000µg
p-Tolylbenzene
p-Methyldiphenyl
p-Methylbiphenyl
4-Methyldiphenyl
Biphenyl, 4-methyl-
1,1'-Biphenyl, 4-methyl-
p-Phenyltoluene
(4-Methylphenyl)benzene
FEMA 3186
4-methyl-biphenyl
Phenyltoluene, p-
Methylphenylbenzene, p-
4-methyl biphenyl
FEMA No. 3186
1-methyl-4-phenyl-benzene
ZZLCFHIKESPLTH-UHFFFAOYSA-N
13J700766D
p-Tolylb
1-Methyl-4-phenylbenzene

MDL Number

MFCD00008544

Customs Code

2902909090

FAQ

What are the physical and chemical properties of 4-Methylbiphenyl (CAS: 644-08-6)?

4-Methylbiphenyl (CAS: 644-08-6) is a white crystalline solid with a molecular weight of 142.19 g/mol. It has a melting point of 85-86°C and a boiling point of 261-262°C. The compound is slightly soluble in water but soluble in common organic solvents like ethanol, acetone, and toluene. It is moderately reactive towards electrophiles and is used in various chemical reactions.

How is 4-Methylbiphenyl (CAS: 644-08-6) typically synthesized?

4-Methylbiphenyl (CAS: 644-08-6) can be synthesized via Friedel-Crafts alkylation of biphenyl with methane in the presence of aluminum chloride as a catalyst. This method gives good yield and selectivity. The reaction conditions are typically performed at temperatures between 100-150°C to ensure a high reaction rate and selectivity towards the desired product.

What industries use 4-Methylbiphenyl (CAS: 644-08-6)?

4-Methylbiphenyl (CAS: 644-08-6) is widely used in the pharmaceutical industry for the synthesis of organic compounds and intermediates. It is also utilized in the polymer industry for the production of certain plastics and elastomers. Additionally, it has applications in the semiconductor industry for creating sensitive components and in sensor technology for detecting specific gases and chemicals.

What precautions should be taken when handling 4-Methylbiphenyl (CAS: 644-08-6)?

When handling 4-Methylbiphenyl (CAS: 644-08-6), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be stored in a cool, well-ventilated area away from heat and sources of ignition. In case of a spill, it should be handled in a fume hood, and appropriate safety data sheets (SDS) should be consulted for detailed spill cleanup procedures. Always ensure proper ventilation and work within a fume hood to minimize inhalation risks.