89660

o-Tolunitrile

≥97.0% (GC)

• Synonym(s): 2-Methylbenzonitrile
• Linear Formula: CH₃C₆H₄CN
• CAS Number: 529-19-1
• Molecular Weight: 117.15
• Beilstein/REAXYS Number: 1857417
• EC Number: 208-451-7
• MDL number: MFCD00001792
• UNSPSC Code: 12352100
• PubChem Substance ID: 24889248
• NACRES: NA.22

Properties

• assay: ≥97.0% (GC)
• form: liquid
• refractive index: n20/D 1.5279 (lit.); n20/D 1.528
• bp: 205 °C (lit.)
• mp: −13-−11 °C (lit.); −13-−11 °C
• density: 0.989 g/mL at 25 °C (lit.)
• functional group: nitrile
• SMILES string: Cc1ccccc1C#N
• InChI: 1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3
• InChI key: NWPNXBQSRGKSJB-UHFFFAOYSA-N

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H412
• pcodes: P264 - P273 - P280 - P302 + P352 - P332 + P313 - P362 + P364
• Hazard Classifications: Aquatic Chronic 3 - Skin Irrit. 2
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 2
• flash_point_f: 179.6 °F - closed cup
• flash_point_c: 82 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter