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Indole-3-carboxylic acid, 98%

Catalog No. AAA1263403
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AAA1263403 1 g
AAA1263406 5 g
AAA1263414 25 g
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Catalog No. AAA1263403

Supplier: Thermo Scientific Chemicals A1263403

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CAS: 771-50-6 | C9H7NO2 | 161.16 g/mol

Indole-3-carboxylic acid is used as a raw material in synthesis. The structures of the derivatives of indole-3-carboxylic acid were studied using gas chromatography with high resolution mass spectrometry (GC-HRMS), ultra-high performance liquid chromatography in combination with high resolution tandem mass spectrometry (UHPLC-HRMS), nuclear magnetic resonance spectroscopy (NMR) and Fourier transform infrared spectroscopy. Reactant for preparation of: Anticancer agents, Derivatives of amino acids and peptides, Serotonin 5-HT4 receptor antagonists, Primary acylureas, Inhibitors of Gli1-mediated transcription in the Hedgehog pathway, Serotonin 5-HT6 antagonists, Very Late Antigen-4 (VLA-4) sntagonists, EphB3 receptor tyrosine kinase inhibitors, Potential Therapeutic Agent for Alzheimer?s Disease, Vinyl ester pseudotripeptide proteasome inhibitors

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Indole-3-carboxylic acid is used as a raw material in synthesis. The structures of the derivatives of indole-3-carboxylic acid were studied using gas chromatography with high resolution mass spectrometry (GC-HRMS), ultra-high performance liquid chromatography in combination with high resolution tandem mass spectrometry (UHPLC-HRMS), nuclear magnetic resonance spectroscopy (NMR) and Fourier transform infrared spectroscopy. Reactant for preparation of: Anticancer agents, Derivatives of amino acids and peptides, Serotonin 5-HT4 receptor antagonists, Primary acylureas, Inhibitors of Gli1-mediated transcription in the Hedgehog pathway, Serotonin 5-HT6 antagonists, Very Late Antigen-4 (VLA-4) sntagonists, EphB3 receptor tyrosine kinase inhibitors, Potential Therapeutic Agent for Alzheimer′s Disease, Vinyl ester pseudotripeptide proteasome inhibitors

Solubility
Soluble in 95% Ethanol: 50 mg/ml, also soluble in methanol.

Notes
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Keep away from strong oxidizing agents. Stable under ordinary conditions.

Chemical Identifiers

CAS 771-50-6
Molecular Formula C9H7NO2
Molecular Weight (g/mol) 161.16
MDL Number MFCD00005624
InChI Key KMAKOBLIOCQGJP-UHFFFAOYSA-N
Synonym indole-3-carboxylic acid, 3-indoleformic acid, 3-carboxyindole, indole-3-carboxylicacid, 3-indolecarboxylic acid, indole-3-carboxylate, 3-indolylcarboxylic acid, beta-indolylcarboxylic acid, indole-3 carboxylic acid, ico
PubChem CID 69867
ChEBI CHEBI:24809
IUPAC Name 1H-indole-3-carboxylic acid
SMILES C1=CC=C2C(=C1)C(=CN2)C(=O)O

Specifications

Melting Point ∼239°C (decomposition)
Quantity 1 g
Beilstein 129435
Solubility Information Soluble in 95% Ethanol: 50mg/ml,also soluble in methanol.
Formula Weight 161.16
Percent Purity 98%
Chemical Name or Material Indole-3-carboxylic acid
Hazard Category H302+H312-H315-H319-H335
Hazard Statement GHS H Statement
H315-H319-H335
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.
Precautionary Statement P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P501c
EINECSNumber 212-231-6
RTECSNumber NK7882892
TSCA No
Recommended Storage Ambient temperatures

RUO – Research Use Only