2-[(4-Chlorophenyl)Thio]-5-Nitrobenzoic Acid
[CAS# 66949-29-9]

Identification

• Name: 2-[(4-Chlorophenyl)Thio]-5-Nitrobenzoic Acid
• Synonyms: 2-(4-Chlorophenyl)Sulfanyl-5-Nitro-Benzoate; 2-[(4-Chlorophenyl)Thio]-5-Nitrobenzoate; 2-[(4-Chlorophenyl)Thio]-5-Nitro-Benzoate
• Molecular Formula: C₁₃H₇ClNO₄S
• Molecular Weight: 308.72
• CAS Registry Number: 66949-29-9
• SMILES: C1=C([N+]([O-])=O)C=CC(=C1C([O-])=O)SC2=CC=C(Cl)C=C2
• InChI: 1S/C13H8ClNO4S/c14-8-1-4-10(5-2-8)20-12-6-3-9(15(18)19)7-11(12)13(16)17/h1-7H,(H,16,17)/p-1
• InChIKey: BVVJQOLVSLSVQN-UHFFFAOYSA-M

Properties

• Boiling point: 502.44°C at 760 mmHg (Cal.)
• Flash point: 257.667°C (Cal.)