5-bromo-1H-indole-3-carboxylic acid

Base Information

• Chemical Name: 5-bromo-1H-indole-3-carboxylic acid
• CAS No.: 10406-06-1
• Molecular Formula: C9H6BrNO2
• Molecular Weight: 240.056
• Hs Code.: 2933990090
• European Community (EC) Number: 810-967-8
• DSSTox Substance ID: DTXSID80426961
• Nikkaji Number: J3.121.691E
• Wikidata: Q72457375
• Mol file: 10406-06-1.mol

Synonyms:5-bromo-1H-indole-3-carboxylic acid;10406-06-1;5-Bromoindole-3-carboxylic acid;5-Bromo-indole-3-carboxylic acid;1H-Indole-3-carboxylic acid, 5-bromo-;MFCD05664007;5-bromanyl-1~{H}-indole-3-carboxylic acid;5-BROMO-3-INDOLECARBOXYLIC ACID;5-bromo-1H-indole-3-carboxylicacid;EC-000.1924;SCHEMBL2085712;DTXSID80426961;JVZMBSGNSAHFCY-UHFFFAOYSA-N;BCP26956;BBL101445;STL555241;AKOS000211918;AB22186;CS-W003237;FS-2193;NCGC00339406-01;AC-24730;SY020530;AM20020132;B4790;FT-0649456;EN300-23181;AB01332222-02;Q-101950;Z147652440;8NZ

Chemical Property of 5-bromo-1H-indole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.13E-09mmHg at 25°C
• Melting Point: 238-240 °C (decomp)
• Refractive Index: 1.749
• Boiling Point: 470.9 °C at 760 mmHg
• PKA: 3.68±0.30(Predicted)
• Flash Point: 238.6 °C
• PSA: 53.09000
• Density: 1.838 g/cm³
• LogP: 2.62860
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 238.95819
• Heavy Atom Count: 13
• Complexity: 222

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Bromo-1H-indole-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)C(=CN2)C(=O)O
• Uses: 5-Bromo-1H-indole-3-carboxylic Acid is a useful intermediate used in the synthesis of indole derivatives that functions as inhibitors for the vascular endothelial growth factor receptor 2 (VEGFR-2) tyrosine kinase.