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Sigma-Aldrich

Benzotriazole-5-carboxylic acid

99%

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About This Item

Empirical Formula (Hill Notation):
C7H5N3O2
CAS Number:
23814-12-2
Molecular Weight:
163.13
MDL number:
MFCD00012318
UNSPSC Code:
12352100
PubChem Substance ID:
24858355
NACRES:
NA.22

assay

99%

form

solid

SMILES string

OC(=O)c1ccc2[nH]nnc2c1

InChI

1S/C7H5N3O2/c11-7(12)4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,11,12)(H,8,9,10)

InChI key

GUOVBFFLXKJFEE-UHFFFAOYSA-N

Gene Information

human ... GPR109B(8843)

Application

Benzotriazole-5-carboxylic acid was used as bifunctional ligand in solvent induced synthesis of diverse dimensional coordination assemblies of cupric benzotriazole-5-carboxylate. It was also used in hydrothermal synthesis of new coordination polymer, [Zn(Btca)(Phen)]n (H2Btca = benzotriazole-5-carboxylic acid, Phen = 1,10-phenanthroline).

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Juan Xiao et al.
Inorganic chemistry, 50(21), 11032-11038 (2011-10-11)
Three cupric coordination assemblies [Cu(btca)(H(2)O)(2)] (1), [Cu(btca)(H(2)O)(3.5)](8)·16H(2)O (2), and [Cu(2.5)(btca)(1.5)(Hbtca)(0.5)(μ-Cl)(0.5)(μ(3)-OH)(H(2)O)]·H(2)O (3) have been solvothermally synthesized by cupric salts and a bifunctional ligand benzotriazole-5-carboxylic acid (H(2)btca) in different solvent medium. These complexes were structurally characterized by X-ray diffraction analyses and further
Hydrothermal synthesis and crystal structure of a new 2D metal-organic framework:[Zn (Btca)(Phen)] n (H2Btca= benzotriazole-5-carboxylic acid, phen= 1, 10-phenanthroline).
Lu RY and Han ZB.
Russian Journal of Coordination Chemistry, 37(3), 172-175 (2011)
Fuminori Ohsawa et al.
Journal of medicinal chemistry, 56(5), 1865-1877 (2013-02-09)
We have reported that retinoid X receptor (RXR) partial agonist 1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)-1H-benzotriazole-5-carboxylic acid (CBt-PMN, 4a) shows a significant antidiabetes effect in the KK-A(y) type 2 diabetes model mice, with reduced side effects compared to RXR full agonists. To elucidate the mechanism
H Hoffmann et al.
Archiv der Pharmazie, 322(8), 457-459 (1989-08-01)
The 1H-benzotriazolecarboxylic acids 1 and 2 were stable towards oxidative metabolism as well in vitro as in vivo. In the in vivo studies 2.25% of the ester glucuronide of 1H-benzotriazole-5-carboxylic acid was found in urine.

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