butane; 3-hydroxy-3-oxo-2-[2-sulfo-5-(trifluoromethyl)phenyl]azo-propanoate
[CAS# 84696-91-3]

Identification

• Name: butane; 3-hydroxy-3-oxo-2-[2-sulfo-5-(trifluoromethyl)phenyl]azo-propanoate
• Synonyms: diethyl hydrogen [[2-sulpho-5-(trifluoromethyl)phenyl]azo]malonate
• Molecular Formula: C₁₄H₁₆F₃N₂O₇S
• Molecular Weight: 413.35
• CAS Registry Number: 84696-91-3
• EINECS: 283-699-7
• SMILES: CCCC.[O-]C(=O)C(N=Nc1cc(ccc1S(O)(=O)=O)C(F)(F)F)C(O)=O
• InChI: 1S/C10H7F3N2O7S.C4H10/c11-10(12,13)4-1-2-6(23(20,21)22)5(3-4)14-15-7(8(16)17)9(18)19;1-3-4-2/h1-3,7H,(H,16,17)(H,18,19)(H,20,21,22);3-4H2,1-2H3/p-1
• InChIKey: HSOWKPKVUYQQJV-UHFFFAOYSA-M

Properties

• Boiling point: 560.3°C at 760 mmHg (Cal.)
• Flash point: 292.6°C (Cal.)