2-[(4-Methoxy-3-{3-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}phenyl)sulfonyl]ethyl acetate
[CAS# 85750-10-3]

Identification

• Name: 2-[(4-Methoxy-3-{3-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}phenyl)sulfonyl]ethyl acetate
• Synonyms: 2-[5-[[2-(acetoxy)ethyl]sulphonyl]-2-methoxyphenyl]-2,4-dihydro-5-methyl-4-[(4-methyl-2-nitrophenyl)azo]-3H-pyrazol-3-one
• Molecular Formula: C₂₂H₂₃N₅O₈S
• Molecular Weight: 517.51
• CAS Registry Number: 85750-10-3
• EINECS: 288-535-8
• SMILES: CC(=O)OCCS(=O)(=O)c1ccc(OC)c(c1)N3/N=C(/C)C(N=Nc2ccc(C)cc2[N+]([O-])=O)C3=O
• InChI: 1S/C22H23N5O8S/c1-13-5-7-17(18(11-13)27(30)31)23-24-21-14(2)25-26(22(21)29)19-12-16(6-8-20(19)34-4)36(32,33)10-9-35-15(3)28/h5-8,11-12,21H,9-10H2,1-4H3
• InChIKey: YCPGPBLERLNEKN-UHFFFAOYSA-N

Properties

• Density: 1.456g/cm³ (Cal.)
• Boiling point: 756.326°C at 760 mmHg (Cal.)
• Flash point: 411.211°C (Cal.)