4'-Methyl-2-cyanobiphenyl Chemical Properties

Melting point:

49 °C

Boiling point:

>320°C

Density 

1,17 g/cm³

vapor pressure 

0.014Pa at 20℃

Flash point:

>320°C

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Crystalline Powder

color 

Off-white to beige

BRN 

3605954

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

SMILES

C1(C2=CC=C(C)C=C2)=CC=CC=C1C#N

LogP

3.5 at 23℃

CAS DataBase Reference

114772-53-1(CAS DataBase Reference)

NIST Chemistry Reference

Benzonitrile, 2-(4-methylphenyl)-(114772-53-1)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

20/21/22-36/37/38-48/25/62/51/53-22

Safety Statements 

22-26-36/37/39-36/37/45/57-20-36

WGK Germany 

3

Hazard Note 

Irritant

HS Code 

27075000

MSDS

• Language:English Provider:2-Cyano-4'-methylbiphenyl
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4'-Methyl-2-cyanobiphenyl Usage And Synthesis

Chemical Properties

White crystalline powder

Uses

4'-Methylbiphenyl-2-carbonitrile is an intermediate in the synthesis of glycogen synthase kinase-3 inhibitors with a selective sting for glycogen synthase kinase 3α.

Synthesis

4'-Methyl-2-cyanobiphenyl is prepared by the reaction of o-cyanobromobenzene and potassium (4-methylphenyl)trifluoroborate. The specific synthesis steps are as follows:
General procedure: A mixture of aryl halide (0.5 mmol), potassium aryltrifluoroborate (0.6 mmol), K2CO3 (1.0 mmol), Pd/C (5%; 0.5 mol%), ethanol (3 mL), and distilled water (1 mL) was stirred at 80 °C in air for the time indicated. The reaction mixture was added to brine (15 mL) and extracted with ethyl acetate (4×15 mL). The organic solvent was removed under vacuum, and the product was isolated by short-column chromatography.

4'-Methyl-2-cyanobiphenyl(114772-53-1)Related Product Information

• trans-Bifenthtin
• 2-Chloro-3-cyanopyridine
• Bifendate
• Kresoxim-methyl
• Pirimiphos-methyl
• 4-Phenyltoluene
• Thiophanate-methyl
• Tribenuron methyl
• Bifonazole
• METSULFURON METHYL
• 2,3,3',4,4',5-HEXACHLOROBIPHENYL
• Methyl salicylate
• 4-Bromomethyl-2-cyanobiphenyl
• Methyl acetate
• 4-(2-Cyanophenyl)benzyl alcohol
• Methyl
• 4'-(Hydroxymethyl)-[1,1'-Biphenyl]-2-Carboxylic Acid
• N-Methylbenzene-1,2-diamine