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Indole-3-carboxylic acid, 98%, Thermo Scientific Chemicals

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

$50.48 - $637.12

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
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Products 3
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AAA1263403
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Thermo Scientific Chemicals
A1263403
1 g
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AAA1263406
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Thermo Scientific Chemicals
A1263406
5 g
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AAA1263414
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Thermo Scientific Chemicals
A1263414
25 g
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Description

Description

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.
Specifications

Chemical Identifiers

771-50-6
161.16
KMAKOBLIOCQGJP-UHFFFAOYSA-N
69867
1H-indole-3-carboxylic acid
C9H7NO2
MFCD00005624
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
CHEBI:24809
C1=CC=C2C(=C1)C(=CN2)C(=O)O

Specifications

771-50-6
C9H7NO2
1 g
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
KMAKOBLIOCQGJP-UHFFFAOYSA-N
1H-indole-3-carboxylic acid
69867
161.16
Indole-3-carboxylic acid
∼239°C (decomposition)
MFCD00005624
129435
Soluble in 95% Ethanol: 50mg/ml,also soluble in methanol.
C1=CC=C2C(=C1)C(=CN2)C(=O)O
161.16
CHEBI:24809
98%
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Safety and Handling

Safety and Handling

GHS H Statement
H315-H319-H335
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.

P261-P264b-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P362-P501c

H302+H312-H315-H319-H335

EINECSNumber : 212-231-6

RTECSNumber : NK7882892

TSCA : No

Recommended Storage : Ambient temperatures

SDS
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RUO – Research Use Only