3-Methyl-4-Nitro-2-Thiophenecarboxylic Acid
[CAS# 229343-07-1]

Identification

• Name: 3-Methyl-4-Nitro-2-Thiophenecarboxylic Acid
• Synonyms: 2-THIOPHENECARBOXYLICACID, 3-METHYL-4-NITRO-; 3-methyl-4-nitrothiophene-2-carboxylic acid
• Molecular Formula: C₆H₅NO₄S
• Molecular Weight: 187.17
• CAS Registry Number: 229343-07-1
• SMILES: Cc1c(scc1N(=O)=O)C(O)=O
• InChI: 1S/C6H5NO4S/c1-3-4(7(10)11)2-12-5(3)6(8)9/h2H,1H3,(H,8,9)
• InChIKey: UFLMQUYCTZBYQV-UHFFFAOYSA-N

Properties

• Density: 1.566g/cm³ (Cal.)
• Boiling point: 367.682°C at 760 mmHg (Cal.)
• Flash point: 176.168°C (Cal.)
• Refractive index: 1.637 (Cal.)