2-[(4-Methoxy-3-{3-methyl-4-[(2-nitrophenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}phenyl)sulfonyl]ethyl propionate
[CAS# 85750-12-5]

Identification

• Name: 2-[(4-Methoxy-3-{3-methyl-4-[(2-nitrophenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}phenyl)sulfonyl]ethyl propionate
• Synonyms: 2,4-dihydro-2-[2-methoxy-5-[[2-(propionyloxy)ethyl]sulphonyl]phenyl]-5-methyl-4-[(2-nitrophenyl)azo]-3H-pyrazol-3-one
• Molecular Formula: C₂₂H₂₃N₅O₈S
• Molecular Weight: 517.51
• CAS Registry Number: 85750-12-5
• EINECS: 288-537-9
• SMILES: CCC(=O)OCCS(=O)(=O)c1ccc(OC)c(c1)N3/N=C(/C)C(N=Nc2ccccc2[N+]([O-])=O)C3=O
• InChI: 1S/C22H23N5O8S/c1-4-20(28)35-11-12-36(32,33)15-9-10-19(34-3)18(13-15)26-22(29)21(14(2)25-26)24-23-16-7-5-6-8-17(16)27(30)31/h5-10,13,21H,4,11-12H2,1-3H3
• InChIKey: LJMNBFUCKAXZMW-UHFFFAOYSA-N

Properties

• Density: 1.453g/cm³ (Cal.)
• Boiling point: 753.229°C at 760 mmHg (Cal.)
• Flash point: 409.338°C (Cal.)