4'-Methylbiphenyl-2-carbonitrile

Basic Information

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CAS Number

114772-53-1

Molecular Formula

C14H11N

Molecular Weight

193.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

50.0 to 54.0 deg-C

Boiling Point

>320°C

Flash Point

>320°C

Refractive Index

1.603

SMILES

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CC1=CC=C(C=C1)C2=CC=CC=C2C#N

InChI

InChI=1S/C14H11N/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h2-9H,1H3

InChIKey

ZGQVZLSNEBEHFN-UHFFFAOYSA-N

LogP

3.53368

Complexity

241

Safety Information

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GHS Hazard Pictograms

H302

H312

H332

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 9 Class 9

Synonyms & References

English

2-Cyano-4'-methylbiphenyl
2-cyano4'-methyl-1,1'-biphenyl
BB 0223502
4'-Methyl-2-biphenylcarbonitrile
SR-01000944804-1
o-(p-tolyl)benzonitrile
114772-53-1
F11204
BCP12485
2-Cyano-4'-methylbiphenyl (OTBN)
FT-0612098
4'-Methyl[1,1'-biphenyl]-2-carbonitrile
2-(p-tolyl)benzonitrile
4'-Methyl-2-cyanobiphenyl
DTXSID0057623
2- Cyano-4'-methylbiphenyl
2-(4-Tolyl)-benzonitrile
[1,1'-Biphenyl]-2-carbonitrile, 4'-methyl-
SR-01000944804
AC-6861
NCGC00253637-01
LT0038
InChI=1/C14H11N/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h2-9H,1H
4'-Methylbiphenyl-2-nitrile
4'-Methylbiphenyl-2-carbonitrile
2-cyano-4'-methyl biphenyl
2-(4'-methylphenyl)benzonitrile
CAS-114772-53-1
CS-W015764
Tox21_113764
DTXCID1031412

MDL Number

MFCD00151805

Customs Code

2926909090

FAQ

What is 4'-Methylbiphenyl-2-carbonitrile (CAS: 114772-53-1)?

4'-Methylbiphenyl-2-carbonitrile (CAS: 114772-53-1) is a synthetic organic compound with the chemical formula C15H12N. It features a biphenyl core with a methyl group attached to the 4' carbon and a carbonitrile functional group at the 2 position. This compound is typically a solid at room temperature, exhibits low solubility in water, and is soluble in organic solvents. Its aromatic structure and nitrile group contribute to its stability and reactivity in chemical processes.

What are the main uses of 4'-Methylbiphenyl-2-carbonitrile (CAS: 114772-53-1)?

4'-Methylbiphenyl-2-carbonitrile (CAS: 114772-53-1) is primarily used in pharmaceutical research as a potential intermediate for drug development. It also serves in industrial applications, such as the synthesis of dyes, polymers, and materials with specific functional properties. In research settings, it is employed for studying organic reactions and molecular structure. Its unique chemical properties make it valuable for applications requiring aromatic and nitrile functionalities.

Is 4'-Methylbiphenyl-2-carbonitrile (CAS: 114772-53-1) safe?

4'-Methylbiphenyl-2-carbonitrile (CAS: 114772-53-1) should be handled with appropriate safety measures due to potential health risks. While specific toxicity data may vary, it is generally advised to avoid inhalation, skin contact, and ingestion. Protective equipment such as gloves, goggles, and a lab coat is recommended. Safety standards under GHS classify it as a hazardous substance, emphasizing proper ventilation and adherence to chemical safety protocols.

How should 4'-Methylbiphenyl-2-carbonitrile (CAS: 114772-53-1) be stored?

4'-Methylbiphenyl-2-carbonitrile (CAS: 114772-53-1) should be stored in a cool, dry place away from light to maintain stability. It is best kept in a sealed, airtight container to prevent moisture absorption and contamination. Storage conditions should avoid exposure to air and heat, ensuring the compound remains chemically inert. Always follow manufacturer guidelines for optimal storage and safety.