2-Methyl-5-Nitro-3-Thiophenecarboxylic Acid
[CAS# 566947-04-4]

Identification

• Name: 2-Methyl-5-Nitro-3-Thiophenecarboxylic Acid
• Synonyms: 2-methyl-5-nitrothiophene-3-carboxylic acid
• Molecular Formula: C₆H₅NO₄S
• Molecular Weight: 187.17
• CAS Registry Number: 566947-04-4
• SMILES: CC1=C(C=C(S1)[N+](=O)[O-])C(=O)O
• InChI: 1S/C6H5NO4S/c1-3-4(6(8)9)2-5(12-3)7(10)11/h2H,1H3,(H,8,9)
• InChIKey: VAUOSOVGVCCSSF-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 369.1±42.0°C at 760 mmHg (Cal.)
• Flash point: 177.0±27.9°C (Cal.)
• Refractive index: 1.637 (Cal.)

References

• (1): Abedawn I. Khalaf, Abdolrasoul H. Ebrahimabadi, Allan J. Drummond, Nahoum G. Anthony, Simon P. Mackay, Colin J. Suckling and Roger D. Waigh. Synthesis and antimicrobial activity of some netropsin analogues, Org. Biomol. Chem., 2004, 2, 3119.