3-Methylbenzyl cyanide Chemical Properties

Boiling point:

240-241 °C(lit.)

Density 

1.002 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.52(lit.)

Flash point:

>230 °F

storage temp. 

Sealed in dry,Room Temperature

form 

clear liquid

color 

Colorless to Light orange to Yellow

Specific Gravity

1.002

Water Solubility 

INSOLUBLE

BRN 

1099644

Exposure limits

NIOSH: IDLH 25 mg/m3

InChI

InChI=1S/C9H9N/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5H2,1H3

InChIKey

WOJADIOTNFDWNQ-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

2947-60-6(CAS DataBase Reference)

NIST Chemistry Reference

3-Tolylacetic acid nitrile(2947-60-6)

Safety Information

Hazard Codes 

Xn

Risk Statements 

20/21/22-36/37/38

Safety Statements 

26-37/39-36/37

RIDADR 

UN 3276 6.1/PG 3

WGK Germany 

3

HazardClass 

6.1

PackingGroup 

III

HS Code 

29269090

MSDS

• Language:English Provider:3-Methylbenzyl cyanide
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
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3-Methylbenzyl cyanide Usage And Synthesis

Chemical Properties

clear colorless to light yellow liquid

Uses

(3-Methylphenyl)acetonitrile was used as a reactant to synthesize potential non-nucleoside reverse transcriptase inhibitors (NNRTIs) against HIV. It was also used as a reactant to prepare hepatitis C virus inhibitors.

3-Methylbenzyl cyanide(2947-60-6)Related Product Information

• Diphenylacetonitrile
• 4-Methoxybenzyl cyanide
• Sodium carboxymethyl cellulose
• Carboxymethyl cellulose
• 3-(Trifluoromethyl)benzaldehyde
• 1,3-Dimethylbarbituric acid
• Acetonitrile
• N,N-Dimethylformamide
• (3-Methoxyphenyl)acetonitrile
• m-Toluic acid
• 2-Aminobenzotrifluoride
• ALPHA-METHYLBENZYL CYANIDE,A-METHYLBENZYL CYANIDE,à-methylbenzyl cyanide
• 3-Methylphenethylamine
• TRIMETHYL PHLOROGLUCINOL
• Benzeneacetonitrile
• O-METHYLBENZYL CYANIDE,2-METHYLBENZYL CYANIDE
• POTASSIUM CYANIDE
• 4-Methylbenzyl cyanide