1,1'-(1H-Indole-1,3-Diyl)Bis-Ethanone
[CAS# 17537-64-3]

Identification

• Name: 1,1'-(1H-Indole-1,3-Diyl)Bis-Ethanone
• Synonyms: 1-(3-Acetyl-1-Indolyl)Ethanone; 1-(3-Ethanoylindol-1-Yl)Ethanone; Zinc00142409
• Molecular Formula: C₁₂H₁₁NO₂
• Molecular Weight: 201.22
• CAS Registry Number: 17537-64-3
• EINECS: 241-532-5
• SMILES: C2=C(C1=CC=CC=C1[N]2C(=O)C)C(=O)C
• InChI: 1S/C12H11NO2/c1-8(14)11-7-13(9(2)15)12-6-4-3-5-10(11)12/h3-7H,1-2H3
• InChIKey: STUZJORZRZCLRI-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 144-147°C (Expl.)
• Boiling point: 338.8±15.0°C at 760 mmHg (Cal.)
• Flash point: 158.7±20.4°C (Cal.)

Safety Data

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

References

• (1): Over et al.. Natural-product-derived fragments for fragment-based ligand discovery, Nature Chemistry, 2012