<i>m</i>-Xylyl Cyanide , >98.0%(GC) , 2947-60-6

Synonym(s):
3-Methylphenylacetonitrile

CAS NO.：2947-60-6

Empirical Formula: C9H9N

Molecular Weight: 131.17

MDL number: MFCD00001914

EINECS: 220-962-7

PRODUCT 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)

Description and 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.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302+H312+H332-H315-H319-H335
• Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
• 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