1-(4-{(E)-[4-(Dioctylamino)phenyl]diazenyl}-3-nitrophenyl)-2,2,2-trifluoroethanone
[CAS# 684281-90-1]

Identification

• Name: 1-(4-{(E)-[4-(Dioctylamino)phenyl]diazenyl}-3-nitrophenyl)-2,2,2-trifluoroethanone
• Synonyms: 4′-Dioctylamino-2-nitro-4-trifluoroacetylazobenzene; 4'-Dioctylamino-2-nitro-4-trifluoroacetylazobenzene; Chromoreactand CR-546
• Molecular Formula: C₃₀H₄₁F₃N₄O₃
• Molecular Weight: 562.67
• CAS Registry Number: 684281-90-1
• SMILES: FC(F)(F)C(=O)c2ccc(/N=N/c1ccc(cc1)N(CCCCCCCC)CCCCCCCC)c(c2)[N+]([O-])=O
• InChI: 1S/C30H41F3N4O3/c1-3-5-7-9-11-13-21-36(22-14-12-10-8-6-4-2)26-18-16-25(17-19-26)34-35-27-20-15-24(23-28(27)37(39)40)29(38)30(31,32)33/h15-20,23H,3-14,21-22H2,1-2H3/b35-34+
• InChIKey: JJAZMIJAVAHTQZ-XAHDOWKMSA-N

Properties

• Density: 1.142g/cm³ (Cal.)
• Boiling point: 626.709°C at 760 mmHg (Cal.)
• Flash point: 332.822°C (Cal.)
• Refractive index: 1.529 (Cal.)