3-Nitro-4-Phenylsulfanylbenzoate
[CAS# 37531-36-5]

Identification

• Name: 3-Nitro-4-Phenylsulfanylbenzoate
• Synonyms: 3-Nitro-4-Phenylsulfanyl-Benzoate; 3-Nitro-4-(Phenylthio)Benzoate; Zinc01386992
• Molecular Formula: C₁₃H₈NO₄S
• Molecular Weight: 274.27
• CAS Registry Number: 37531-36-5
• SMILES: C1=C(C=CC(=C1[N+]([O-])=O)SC2=CC=CC=C2)C([O-])=O
• InChI: 1S/C13H9NO4S/c15-13(16)9-6-7-12(11(8-9)14(17)18)19-10-4-2-1-3-5-10/h1-8H,(H,15,16)/p-1
• InChIKey: RSPUPFIRVICSIZ-UHFFFAOYSA-M

Properties

• Boiling point: 450.392°C at 760 mmHg (Cal.)
• Flash point: 226.189°C (Cal.)