4-Methylbenzoylacetonitrile , 97% , 7391-28-8

Synonym(s):
3-Oxo-3-p-tolylpropionitrile

CAS NO.：7391-28-8

Empirical Formula: C10H9NO

Molecular Weight: 159.18

MDL number: MFCD00067895

PRODUCT Properties

• Melting point: 105-108 °C (lit.)
• Boiling point: 284.68°C (rough estimate)
• Density: 1.1202 (rough estimate)
• refractive index: 1.6130 (estimate)
• storage temp.: Sealed in dry,Room Temperature
• pka: 8.09±0.10(Predicted)
• form: Needle-Like Powder
• color: Light beige
• BRN: 742923
• InChI: 1S/C10H9NO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5H,6H2,1H3
• InChIKey: AIECDYDQPCANJK-UHFFFAOYSA-N
• SMILES: Cc1ccc(cc1)C(=O)CC#N
• CAS DataBase Reference: 7391-28-8(CAS DataBase Reference)

Description and Uses

4-Toluoylacetonitrile (Tol-4) may be used to synthesize (nitrido)(nitrile-enolato) complex, trans-[Mo(N)(NCCHCOTol-4)(dppe)₂], where dppe = Ph₂PCH₂CH₂PPh₂.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302
• Precautionary statements: P280f
• PPE: Eyeshields, Gloves, type N95 (US)
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 3276
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• HS Code: 29269095
• Storage Class: 11 - Combustible Solids