(5E)-3,3-Dimethyl-5-(1-phenylethylidene)-4,5-dihydro-3H-pyrazole-4-carbonitrile
[CAS# 820245-91-8]

Identification

• Name: (5E)-3,3-Dimethyl-5-(1-phenylethylidene)-4,5-dihydro-3H-pyrazole-4-carbonitrile
• Synonyms: (E)-3,3-dimethyl-5-(1-phenylethylidene)-4,5-dihydro-3H-pyrazole-4-carbonitrile
• Molecular Formula: C₁₄H₁₅N₃
• Molecular Weight: 225.29
• CAS Registry Number: 820245-91-8
• SMILES: C/C(=C\1/C(C(N=N1)(C)C)C#N)/c2ccccc2
• InChI: 1S/C14H15N3/c1-10(11-7-5-4-6-8-11)13-12(9-15)14(2,3)17-16-13/h4-8,12H,1-3H3/b13-10+
• InChIKey: ATXWDVVAQNUVGL-JLHYYAGUSA-N

Properties

• Density: 1.073g/cm³ (Cal.)
• Boiling point: 374.854°C at 760 mmHg (Cal.)
• Flash point: 180.506°C (Cal.)
• Refractive index: 1.581 (Cal.)