2,4-Dihydro-5-Methyl-4-[(4-Methyl-2-Nitrophenyl)Azo]-3H-Pyrazol-3-One
[CAS# 6358-49-2]

Identification

• Name: 2,4-Dihydro-5-Methyl-4-[(4-Methyl-2-Nitrophenyl)Azo]-3H-Pyrazol-3-One
• Synonyms: N-[2-(2-Chlorophenyl)-1,3-Benzoxazol-5-Yl]-2-(4-Nitrophenoxy)Ethanamide; Cbkinase1_002117; Cbkinase1_014517
• Molecular Formula: C₂₁H₁₄ClN₃O₅
• Molecular Weight: 423.81
• CAS Registry Number: 6358-49-2
• EINECS: 228-776-8
• SMILES: C2=C(NC(=O)COC1=CC=C([N+]([O-])=O)C=C1)C=CC3=C2N=C(O3)C4=CC=CC=C4Cl
• InChI: 1S/C21H14ClN3O5/c22-17-4-2-1-3-16(17)21-24-18-11-13(5-10-19(18)30-21)23-20(26)12-29-15-8-6-14(7-9-15)25(27)28/h1-11H,12H2,(H,23,26)
• InChIKey: FUGVWRCCVMXWPU-UHFFFAOYSA-N

Properties

• Density: 1.461g/cm³ (Cal.)
• Boiling point: 679.346°C at 760 mmHg (Cal.)
• Flash point: 364.655°C (Cal.)