4-Bromoantipyrine
[CAS# 5426-65-3]

Identification

• Name: 4-Bromoantipyrine
• Synonyms: 4-Bromo-1,5-Dimethyl-2-Phenyl-Pyrazol-3-One; 4-Bromo-1,5-Dimethyl-2-Phenyl-3-Pyrazolone; 3H-Pyrazol-3-One, 4-Bromo-1,2-Dihydro-1,5-Dimethyl-2-Phenyl- (9Ci)
• Molecular Formula: C₁₁H₁₁BrN₂O
• Molecular Weight: 267.12
• CAS Registry Number: 5426-65-3
• SMILES: C2=C(N1C(C(=C(N1C)C)Br)=O)C=CC=C2
• InChI: 1S/C11H11BrN2O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3
• InChIKey: QYWWSDVPNCBSIA-UHFFFAOYSA-N

Properties

• Density: 1.525g/cm³ (Cal.)
• Melting point: 117°C (Expl.)
• Boiling point: 309.258°C at 760 mmHg (Cal.)
• Flash point: 140.834°C (Cal.)