Indole-3-carboxylic acid

Base Information

Chemical Name:Indole-3-carboxylic acid
CAS No.:771-50-6
Molecular Formula:C9H7NO2
Molecular Weight:161.16
Hs Code.:29339900
European Community (EC) Number:212-231-6
UNII:59711R38B0
DSSTox Substance ID:DTXSID50227886
Nikkaji Number:J113.034J
Wikidata:Q27103090
Metabolomics Workbench ID:38287
ChEMBL ID:CHEMBL387527
Mol file:771-50-6.mol

Synonyms:3-carboxyindole;indole-3-carboxylic acid

Suppliers and Price of Indole-3-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Indole-3-carboxylic Acid
5g
$ 85.00

TCI Chemical
Indole-3-carboxylic Acid >98.0%(T)(HPLC)
25g
$ 126.00

TCI Chemical
Indole-3-carboxylic Acid >98.0%(T)(HPLC)
5g
$ 43.00

SynQuest Laboratories
1H-Indole-3-carboxylic acid 98%
25 g
$ 23.00

SynQuest Laboratories
1H-Indole-3-carboxylic acid 98%
100 g
$ 72.00

Sigma-Aldrich
Tropisetron impurity B European Pharmacopoeia (EP) Reference Standard
y0000618
$ 190.00

Sigma-Aldrich
Indole-3-carboxylic acid ReagentPlus , 99%
5g
$ 82.20

Sigma-Aldrich
Indole-3-carboxylic acid ReagentPlus , 99%
1g
$ 30.60

Oakwood
Indole-3-carboxylic Acid 97%
5g
$ 12.00

Oakwood
Indole-3-carboxylic Acid 97%
1g
$ 10.00

Total 170 raw suppliers

Chemical Property of Indole-3-carboxylic acid

Chemical Property:

Appearance/Colour:light beige powder
Vapor Pressure:8.6E-08mmHg at 25°C
Melting Point:232-240 °C
Refractive Index:1.5050 (estimate)
Boiling Point:419.6 °C at 760 mmHg
PKA:3.90±0.10(Predicted)
Flash Point:207.6 °C
PSA：53.09000
Density:1.408 g/cm³
LogP:1.86610
Storage Temp.:2-8°C
Solubility.:Soluble in 95% Ethanol: 50 mg/ml, also soluble in methanol.
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:161.047678466
Heavy Atom Count:12
Complexity:193

Purity/Quality:

99% ^*data from raw suppliers

Indole-3-carboxylic Acid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn,Xi
Hazard Codes:Xn,Xi
Statements: 36/37/38-21/22
Safety Statements: 22-24/25-36/37/39-26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=CN2)C(=O)O

Technology Process of Indole-3-carboxylic acid

There total 65 articles about Indole-3-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

: 27018-76-4
1-benzylindole-3-carboxylic acid

: 771-50-6
1H-indole-3-carboxylic acid

Guidance literature:: With aluminum (III) chloride; In benzene; at -10 - 20 ℃; for 18h;
DOI:10.1016/j.tet.2015.12.028

Reference yield: 96.0%

: 942-24-5
3-methoxycarbonylindole

: 771-50-6
1H-indole-3-carboxylic acid

Guidance literature:: With iodine; aluminium; In acetonitrile; at 80 ℃; for 18h;
DOI:10.1021/acs.joc.1c00034

Reference yield: 95.0%

: 120-72-9
indole

: 124-38-9,18923-20-1
carbon dioxide

: 771-50-6
1H-indole-3-carboxylic acid

Guidance literature:: With lithium tert-butoxide; In N,N-dimethyl-formamide; at 100 ℃; for 24h; under 760.051 Torr; Reagent/catalyst; Time;
DOI:10.3987/COM-14-S(K)94