5-[9-(3-Carboxy-4-Nitrophenyl)Disulfanylnonyldisulfanyl]-2-Nitrobenzoic Acid
[CAS# 142093-99-0]

Identification

• Name: 5-[9-(3-Carboxy-4-Nitrophenyl)Disulfanylnonyldisulfanyl]-2-Nitrobenzoic Acid
• Synonyms: 5-[9-(3-Carboxy-4-Nitro-Phenyl)Disulfanylnonyldisulfanyl]-2-Nitro-Benzoic Acid; Benzoic Acid, 3,3'-(1,9-Nonanediylbis(Dithio))Bis(6-Nitro-; Nbdn
• Molecular Formula: C₂₃H₂₆N₂O₈S₄
• Molecular Weight: 586.71
• CAS Registry Number: 142093-99-0
• SMILES: C2=C(SSCCCCCCCCCSSC1=CC(=C([N+]([O-])=O)C=C1)C(=O)O)C=CC(=C2C(=O)O)[N+]([O-])=O
• InChI: 1S/C23H26N2O8S4/c26-22(27)18-14-16(8-10-20(18)24(30)31)36-34-12-6-4-2-1-3-5-7-13-35-37-17-9-11-21(25(32)33)19(15-17)23(28)29/h8-11,14-15H,1-7,12-13H2,(H,26,27)(H,28,29)
• InChIKey: RSDKORKYISQIRF-UHFFFAOYSA-N

Properties

• Density: 1.488g/cm³ (Cal.)
• Boiling point: 770.308°C at 760 mmHg (Cal.)
• Flash point: 419.667°C (Cal.)