2-[(4-Chlorophenyl)Methyl]-3,3-Dimethyl-1-(1,2,4-Triazol-1-Yl)Butan-1-One
[CAS# 107021-84-1]

Identification

• Name: 2-[(4-Chlorophenyl)Methyl]-3,3-Dimethyl-1-(1,2,4-Triazol-1-Yl)Butan-1-One
• Synonyms: 2-(4-Chlorobenzyl)-3,3-Dimethyl-1-(1,2,4-Triazol-1-Yl)Butan-1-One
• Molecular Formula: C₁₅H₁₈ClN₃O
• Molecular Weight: 291.78
• CAS Registry Number: 107021-84-1
• SMILES: C1=N[N](C=N1)C(C(C(C)(C)C)CC2=CC=C(C=C2)Cl)=O
• InChI: 1S/C15H18ClN3O/c1-15(2,3)13(14(20)19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13H,8H2,1-3H3
• InChIKey: GUDHIBLACZULSY-UHFFFAOYSA-N

Properties

• Density: 1.183g/cm³ (Cal.)
• Boiling point: 432.812°C at 760 mmHg (Cal.)
• Flash point: 215.557°C (Cal.)