Methyl 5-bromo-1H-indazole-3-carboxylate

CAS: 78155-74-5

Ref. 3D-FM56734

Product Information

• Name: Methyl 5-bromo-1H-indazole-3-carboxylate
• Synonyms: 1H-indazole-3-carboxylic acid, 5-bromo-, methyl ester, Methyl-5-brom-1H-indazol-3-carboxylat

Description

Methyl 5-bromo-1H-indazole-3-carboxylate is an organic compound that is the methyl ester of 5-bromo-1H-indazole-3-carboxylic acid. It crystallizes in a monoclinic space group with cell dimensions of a = 11.085, b = 7.836, c = 9.944 Å and β = 91.6° and contains dimers in the crystal structure, which are formed by hydrogen bonding interactions between one molecule of the ester and two molecules of the carboxylic acid moiety. The compound crystallizes as white needles with a melting point at 180°C and can be obtained from the reaction of thionyl chloride with 1,2-dimethylethyl 5-(bromomethyl)indole or from the reaction of methyl 5-(bromomethyl)indole with elemental sulfur followed

• Brand: Biosynth

Chemical properties

• Molecular weight: 255.07 g/mol
• Formula: C₉H₇BrN₂O₂
• Purity: Min. 95%
• InChI: InChI=1S/C9H7BrN2O2/c1-14-9(13)8-6-4-5(10)2-3-7(6)11-12-8/h2-4H,1H3,(H,11,12)
• InChI key: InChIKey=WVNKCZKRGOOMNU-UHFFFAOYSA-N
• SMILES: COC(=O)c1n[nH]c2ccc(Br)cc12