5-Nitro-2-p-Tolylsulfanyl-Benzoic Acid
[CAS# 78160-05-1]

Identification

• Name: 5-Nitro-2-p-Tolylsulfanyl-Benzoic Acid
• Synonyms: 2-(4-Methylphenyl)Sulfanyl-5-Nitro-Benzoate; 2-[(4-Methylphenyl)Thio]-5-Nitrobenzoate; 2-[(4-Methylphenyl)Thio]-5-Nitro-Benzoate
• Molecular Formula: C₁₄H₁₀NO₄S
• Molecular Weight: 288.30
• CAS Registry Number: 78160-05-1
• SMILES: C1=C([N+]([O-])=O)C=CC(=C1C([O-])=O)SC2=CC=C(C=C2)C
• InChI: 1S/C14H11NO4S/c1-9-2-5-11(6-3-9)20-13-7-4-10(15(18)19)8-12(13)14(16)17/h2-8H,1H3,(H,16,17)/p-1
• InChIKey: IOGPWPIPIPXYDP-UHFFFAOYSA-M

Properties

• Boiling point: 478.58°C at 760 mmHg (Cal.)
• Flash point: 243.237°C (Cal.)