3-Nitrobenzothiophene
[CAS# 17402-80-1]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Thiophene compound
• Name: 3-Nitrobenzothiophene
• Synonyms: 3-Nitrobenzothiophene; 3-Nitrobenzo(B)Thiophene; 3-Nitrothianaphthene
• Molecular Formula: C₈H₅NO₂S
• Molecular Weight: 179.19
• CAS Registry Number: 17402-80-1
• SMILES: C1=C([N+]([O-])=O)C2=C(S1)C=CC=C2
• InChI: 1S/C8H5NO2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H
• InChIKey: PIZRWAZBFNMVMW-UHFFFAOYSA-N

Properties

• Density: 1.435g/cm³ (Cal.)
• Boiling point: 324.558°C at 760 mmHg (Cal.)
• Flash point: 150.088°C (Cal.)