Benzotriazol-1-yl-acetic acid

Ref. 3D-FB50768

Product Information

• Name: Benzotriazol-1-yl-acetic acid
• Synonyms: 1H-1,2,3-Benzotriazol-1-ylacetic acid
• Brand: Biosynth
• Description: Benzotriazol-1-yl-acetic acid (BTA) is a molecule with the chemical formula CHN. It is a luminescent compound that has been used as a ligand in coordination chemistry and as a reagent to determine the optical properties of other molecules. BTA has an absorption maximum at about 330 nm, and fluorescence emission maxima at about 360, 460 and 500 nm. The crystal x-ray diffraction pattern of BTA shows only one strong peak for each reflection, indicating that it crystallizes in monoclinic space group P21/c. The molecule consists of two benzene rings joined by an ethyl amide bond, which is formed from the reaction between ethyl bromoacetate and chloride ions. The nitrogen atoms are coordinated by four water molecules to form a tetrahedral cluster.; BTA reacts with ethyl bromoacetate to produce benzotriazole and ethylamine:

Chemical properties

• Molecular weight: 177.16 g/mol
• Formula: C₈H₇N₃O₂
• Purity: Min. 95%
• InChI: InChI=1S/C8H7N3O2/c12-8(13)5-11-7-4-2-1-3-6(7)9-10-11/h1-4H,5H2,(H,12,13)
• InChI key: InChIKey=QOXXZTPKJWPIDK-UHFFFAOYSA-N
• SMILES: O=C(O)Cn1nnc2ccccc21