246263

Indole-4-carboxylic acid

98%

• Synonym(s): 4-Carboxyindole
• Empirical Formula (Hill Notation): C₉H₇NO₂
• CAS Number: 2124-55-2
• Molecular Weight: 161.16
• MDL number: MFCD00009739
• UNSPSC Code: 12352100
• PubChem Substance ID: 24854799
• NACRES: NA.22

Properties

• assay: 98%
• form: powder
• mp: 213-214 °C (lit.)
• SMILES string: OC(=O)c1cccc2[nH]ccc12
• InChI: 1S/C9H7NO2/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,(H,11,12)
• InChI key: ROGHUJUFCRFUSO-UHFFFAOYSA-N

Description

Application

tert-butyl esters of indole and pyrrolecarboylic acids are readily prepared by direct treatment with N,N-dimethylformamide di-tert-butyl acetal (Cat. No. 395005).[1]

• Reactant for preparation of substituted indole derivatives as histamine H3 antagonists
• Reactant for preparation of potent and selective inhibitors of human reticulocyte 15-lipoxygenase-1
• Reactant for preparation of inhibitors of Gli1-mediated transcription in Hedgehog pathway
• Reactant for preparation of pyridinyl carboxylates as SARS-CoV 3CL proinhibitors
• Reactant for preparation of substituted bipiperidinylmethyl amides as CCR3 membrane binding ligands
• Reactant for preparation of indole amide hydroxamic acids as potent inhibitors of histone deacetylases
• Reactant for preparation of 2-[[[4′-chloro-[1,1-biphenyl]-4-yl]thio]methyl]-N-hydroxybutanamide derivatives as specific metalloproteinase

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves