1-(4-Nitrophenyl)-3-(2-Thienyl)-Prop-2-En-1-One
[CAS# 6028-92-8]

Identification

• Name: 1-(4-Nitrophenyl)-3-(2-Thienyl)-Prop-2-En-1-One
• Synonyms: (E)-1-(4-Nitrophenyl)-3-Thiophen-2-Ylprop-2-En-1-One; 1-(4-Nitrophenyl)-3-(2-Thienyl)Prop-2-En-1-One; (E)-1-(4-Nitrophenyl)-3-(2-Thienyl)Prop-2-En-1-One
• Molecular Formula: C₁₃H₉NO₃S
• Molecular Weight: 259.28
• CAS Registry Number: 6028-92-8
• SMILES: C2=C(C(=O)\C=C\C1=CC=CS1)C=CC(=C2)[N+]([O-])=O
• InChI: 1S/C13H9NO3S/c15-13(8-7-12-2-1-9-18-12)10-3-5-11(6-4-10)14(16)17/h1-9H/b8-7+
• InChIKey: QZLINQZBUKTXIZ-BQYQJAHWSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 168-170°C (Expl.)
• Boiling point: 452.7±45.0°C at 760 mmHg (Cal.)
• Flash point: 227.6±28.7°C (Cal.)

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract