3-Methylbenzyl cyanide

Synonym(s):3-Methylphenylacetonitrile

CAS NO.：2947-60-6
Empirical Formula: C9H9N
Molecular Weight: 131.17
MDL number: MFCD00001914
EINECS: 220-962-7
SAFETY DATA SHEET (SDS)
Update Date: 2025-11-16 10:30:15

What is 3-Methylbenzyl cyanide?

Chemical properties

clear colorless to light yellow liquid

The Uses of 3-Methylbenzyl cyanide

(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.

Properties of 3-Methylbenzyl cyanide

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
Specific Gravity	1.002
color	Colorless to Light orange to Yellow
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
CAS DataBase Reference	2947-60-6(CAS DataBase Reference)
NIST Chemistry Reference	3-Tolylacetic acid nitrile(2947-60-6)

Safety information for 3-Methylbenzyl cyanide

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.