3-(2-Chloro-4,5-Difluorophenyl)-3-Oxopropanenitrile
[CAS# 139218-69-2]

Identification

• Name: 3-(2-Chloro-4,5-Difluorophenyl)-3-Oxopropanenitrile
• Synonyms: 2-Chloro-4,5-difluorobenzoylacetonitrile; MFCD02260826
• Molecular Formula: C₉H₄ClF₂NO
• Molecular Weight: 215.58
• CAS Registry Number: 139218-69-2
• SMILES: O=C(CC#N)c1cc(F)c(F)cc1Cl
• InChI: 1S/C9H4ClF2NO/c10-6-4-8(12)7(11)3-5(6)9(14)1-2-13/h3-4H,1H2
• InChIKey: HCJYLNKSHNGRII-UHFFFAOYSA-N

Properties

• Density: 1.426g/cm³ (Cal.)
• Boiling point: 317.478°C at 760 mmHg (Cal.)
• Flash point: 145.806°C (Cal.)
• Refractive index: 1.516 (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE