4,4'-(1,1,1,3,3,3-Hexafluoro-2,2-Propanediyl)Bis(2-Nitrobenzoic Acid)
[CAS# 115873-09-1]

Identification

• Name: 4,4'-(1,1,1,3,3,3-Hexafluoro-2,2-Propanediyl)Bis(2-Nitrobenzoic Acid)
• Synonyms: 2,2-Bis(4-carboxy-3-nitrophenyl)hexafluoropropane; 2,2-Bis(4-carboxy-3-nitrophenyl)hexafluoropropane 98%; 4-[2-(4-carboxy-3-nitrophenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-nitrobenzoic acid
• Molecular Formula: C₁₇H₈F₆N₂O₈
• Molecular Weight: 482.24
• CAS Registry Number: 115873-09-1
• SMILES: FC(F)(F)C(c1ccc(C(O)=O)c(c1)[N+]([O-])=O)(c2ccc(c(c2)[N+]([O-])=O)C(O)=O)C(F)(F)F
• InChI: 1S/C17H8F6N2O8/c18-16(19,20)15(17(21,22)23,7-1-3-9(13(26)27)11(5-7)24(30)31)8-2-4-10(14(28)29)12(6-8)25(32)33/h1-6H,(H,26,27)(H,28,29)
• InChIKey: HTFPTCABXGMXOB-UHFFFAOYSA-N

Properties

• Density: 1.697g/cm³ (Cal.)
• Boiling point: 512.535°C at 760 mmHg (Cal.)
• Flash point: 263.772°C (Cal.)
• Refractive index: 1.562 (Cal.)

Safety Data

• Safety Description: S24/25,S36/37/39,S45