5-Nitro-2-Phenylsulfanyl-Benzoic Acid
[CAS# 6345-67-1]

Identification

• Name: 5-Nitro-2-Phenylsulfanyl-Benzoic Acid
• Synonyms: 5-Nitro-2-Phenylsulfanyl-Benzoate; 5-Nitro-2-(Phenylthio)Benzoate; Zinc00346182
• Molecular Formula: C₁₃H₈NO₄S
• Molecular Weight: 274.27
• CAS Registry Number: 6345-67-1
• SMILES: C1=C([N+]([O-])=O)C=CC(=C1C([O-])=O)SC2=CC=CC=C2
• InChI: 1S/C13H9NO4S/c15-13(16)11-8-9(14(17)18)6-7-12(11)19-10-4-2-1-3-5-10/h1-8H,(H,15,16)/p-1
• InChIKey: MBGUREXFPRWNKS-UHFFFAOYSA-M

Properties

• Boiling point: 465.037°C at 760 mmHg (Cal.)
• Flash point: 235.046°C (Cal.)