2-(2-Formyl-1H-Pyrrol-1-Yl)-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carbonitrile
[CAS# 352553-63-0]

Identification

• Name: 2-(2-Formyl-1H-Pyrrol-1-Yl)-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carbonitrile
• Synonyms: 2-(2-formyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile; 2-(2-formylpyrrolyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile; MFCD00436081
• Molecular Formula: C₁₄H₁₂N₂OS
• Molecular Weight: 256.32
• CAS Registry Number: 352553-63-0
• SMILES: C1CCC2=C(C1)C(=C(S2)N3C=CC=C3C=O)C#N
• InChI: 1S/C14H12N2OS/c15-8-12-11-5-1-2-6-13(11)18-14(12)16-7-3-4-10(16)9-17/h3-4,7,9H,1-2,5-6H2
• InChIKey: WMVXDJRDVGEDTF-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 505.2±50.0°C at 760 mmHg (Cal.)
• Flash point: 259.4±30.1°C (Cal.)
• Refractive index: 1.698 (Cal.)

Safety Data

• Safety Description: IRRITANT