5-Dodecyldisulfanyl-2-Nitro-Benzoic Acid
[CAS# 114019-73-7]

Identification

• Name: 5-Dodecyldisulfanyl-2-Nitro-Benzoic Acid
• Synonyms: 5-Dodecyldisulfanyl-2-Nitro-Benzoic Acid; 5-Lauryldisulfanyl-2-Nitro-Benzoic Acid; Dodecyldithio-5-(2-Nitrobenzoic Acid)
• Molecular Formula: C₁₉H₂₉NO₄S₂
• Molecular Weight: 399.56
• CAS Registry Number: 114019-73-7
• SMILES: C1=C(C(=CC=C1SSCCCCCCCCCCCC)[N+]([O-])=O)C(=O)O
• InChI: 1S/C19H29NO4S2/c1-2-3-4-5-6-7-8-9-10-11-14-25-26-16-12-13-18(20(23)24)17(15-16)19(21)22/h12-13,15H,2-11,14H2,1H3,(H,21,22)
• InChIKey: LNGWGYPBWOQGGM-UHFFFAOYSA-N

Properties

• Density: 1.189g/cm³ (Cal.)
• Boiling point: 535.777°C at 760 mmHg (Cal.)
• Flash point: 277.828°C (Cal.)