Ethyl 3-Methyl-5-Nitrobenzo[b]Thiophene-2-Carboxylate
[CAS# 17514-60-2]

Identification

• Name: Ethyl 3-Methyl-5-Nitrobenzo[b]Thiophene-2-Carboxylate
• Synonyms: Ethyl 3-Methyl-5-Nitro-Benzothiophene-2-Carboxylate; 3-Methyl-5-Nitro-2-Benzothiophenecarboxylic Acid Ethyl Ester; 3-Methyl-5-Nitro-Benzothiophene-2-Carboxylic Acid Ethyl Ester
• Molecular Formula: C₁₂H₁₁NO₄S
• Molecular Weight: 265.28
• CAS Registry Number: 17514-60-2
• SMILES: C1=C2C(=CC=C1[N+](=O)[O-])SC(=C2C)C(OCC)=O
• InChI: 1S/C12H11NO4S/c1-3-17-12(14)11-7(2)9-6-8(13(15)16)4-5-10(9)18-11/h4-6H,3H2,1-2H3
• InChIKey: ZLSYFCRPOHWMHJ-UHFFFAOYSA-N

Properties

• Density: 1.357g/cm³ (Cal.)
• Boiling point: 406.709°C at 760 mmHg (Cal.)
• Flash point: 199.77°C (Cal.)