4-(1H-Indol-3-yl)butanoic acid
[CAS# 933-32-4]

Identification

• Name: 4-(1H-Indol-3-yl)butanoic acid
• Synonyms: "144505-90; [3-(3-Indolyl)propyl]carboxylic acid; 1H-Indole-3-butanoic acid (9CI)
• Molecular Formula: C₁₂H₁₃NO₂
• Molecular Weight: 203.24
• CAS Registry Number: 933-32-4
• SMILES: C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O
• InChI: 1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
• InChIKey: JTEDVYBZBROSJT-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 126°C (Expl.)
• Boiling point: 426.6±20.0°C at 760 mmHg (Cal.)
• Flash point: 211.8±21.8°C (Cal.)

Safety Data

• Safety Code: S26;S36/37;S45
• Risk Code: R25;R36/37/38
• Hazard Symbol: T
• Transport Information: UN2811
• Safety Description: DANGER: POISON, causes CNS injury

References

• (1): Meera ParthasarathyPresent address: Department of Chemistry, School of Chemical and Biotechnology, SASTRA University, Tirumalaisamudram, Thanjavur, Tamilnadu, India – 613402. Email: meera_p@scbt.sastra.edu, Ramaiyan Kannan, Kurungot Sreekumar and Vijayamohanan K. Pillai. Bio-inspired catalyst compositions for enhanced oxygen reduction using nanostructured Pt electrocatalysts in polymer electrolyte fuel cells, J. Mater. Chem., 2010, 20, 9651.