2-[(4-Methoxy-3-{4-[(4-methoxy-2-nitrophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}phenyl)sulfonyl]ethyl acetate
[CAS# 85750-11-4]

Identification

• Name: 2-[(4-Methoxy-3-{4-[(4-methoxy-2-nitrophenyl)diazenyl]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}phenyl)sulfonyl]ethyl acetate
• Synonyms: 2-[[3-[2,4-dihydro-4-[(4-methoxy-2-nitrophenyl)azo]-5-methyl-3-oxo-3H-pyrazol-2-yl]-4-methoxyphenyl]sulphonyl]ethyl acetate
• Molecular Formula: C₂₂H₂₃N₅O₉S
• Molecular Weight: 533.51
• CAS Registry Number: 85750-11-4
• EINECS: 288-536-3
• SMILES: CC(=O)OCCS(=O)(=O)c1ccc(OC)c(c1)N3/N=C(/C)C(N=Nc2ccc(OC)cc2[N+]([O-])=O)C3=O
• InChI: 1S/C22H23N5O9S/c1-13-21(24-23-17-7-5-15(34-3)11-18(17)27(30)31)22(29)26(25-13)19-12-16(6-8-20(19)35-4)37(32,33)10-9-36-14(2)28/h5-8,11-12,21H,9-10H2,1-4H3
• InChIKey: MXAMPEDYDQZTRQ-UHFFFAOYSA-N

Properties

• Density: 1.475g/cm³ (Cal.)
• Boiling point: 770.974°C at 760 mmHg (Cal.)
• Flash point: 420.07°C (Cal.)