132330

p-Tolunitrile

98%

• Synonym(s): 4-Methylbenzonitrile
• Linear Formula: CH₃C₆H₄CN
• CAS Number: 104-85-8
• Molecular Weight: 117.15
• Beilstein: 507386
• EC Number: 203-244-8
• MDL number: MFCD00001827
• PubChem Substance ID: 24848050
• NACRES: NA.22

Properties

• Quality Level: 200
• assay: 98%
• form: solid
• bp: 103-106 °C/20 mmHg (lit.); 217 °C (lit.)
• mp: 26-28 °C (lit.)
• solubility: alcohol: very soluble; diethyl ether: very soluble; water: insoluble
• density: 0.981 g/mL at 25 °C (lit.)
• SMILES string: Cc1ccc(cc1)C#N
• InChI: 1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3
• InChI key: VCZNNAKNUVJVGX-UHFFFAOYSA-N

Safety Information

• Pictograms: GHS07,GHS08
• Signal Word: Danger
• Hazard Statements: H315 - H319 - H334 - H335
• Precautionary Statements: P261 - P264 - P271 - P302 + P352 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 2
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves