4-Iodo-1,5-Dimethyl-2-Phenylpyrazol-3-One
[CAS# 3791-63-7]

Identification

• Name: 4-Iodo-1,5-Dimethyl-2-Phenylpyrazol-3-One
• Synonyms: 4-Iodo-1,5-Dimethyl-2-Phenyl-Pyrazol-3-One; 4-Iodo-1,5-Dimethyl-2-Phenyl-3-Pyrazolone; Zinc00061485
• Molecular Formula: C₁₁H₁₁IN₂O
• Molecular Weight: 314.13
• CAS Registry Number: 3791-63-7
• SMILES: C1=CC=CC=C1N2C(C(=C(N2C)C)I)=O
• InChI: 1S/C11H11IN2O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3
• InChIKey: ZZOBLCHCPLOXCE-UHFFFAOYSA-N

Properties

• Density: 1.8±0.1g/cm³ (Cal.)
• Melting point: 155-157°C (Expl.)
• Boiling point: 325.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 150.9±28.7°C (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: IRRITANT