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Merck
CN

B11400

Benzotriazole

99%, powder, ReagentPlus®

Synonym(s):

1,2,3-Benzotriazole, 1H-Benzotriazole

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About This Item

Empirical Formula (Hill Notation):
C6H5N3
CAS Number:
Molecular Weight:
119.12
NACRES:
NA.21
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
202-394-1
MDL number:
Beilstein/REAXYS Number:
112133
Assay:
99%
Form:
powder
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Product Name

Benzotriazole, ReagentPlus®, 99%

vapor density

4.1 (vs air)

Quality Level

vapor pressure

0.04 mmHg ( 20 °C)

product line

ReagentPlus®

assay

99%

form

powder

mp

97-99 °C (lit.)

SMILES string

c1ccc2[nH]nnc2c1

InChI

1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)

InChI key

QRUDEWIWKLJBPS-UHFFFAOYSA-N

General description

Benzotriazole is used as a synthetic auxiliary for the preparation of organic derivatives and as a corrosion inhibitors for Cu and its alloys.

Application

Benzotriazole can be used as a reactant to synthesize:
  • β-Aminocarbonyl compounds via Mannich reaction of secondary amines and aldehydes in the presence of p-toluenesulfonic acid as a catalyst.
  • Acylbenzotriazoles via thionyl chloride catalyzed reaction with nitrobenzoic acids.
  • 1-(2-Pyridyl)benzotriazole by reacting with 2-bromopyridine in the presence of toluene as a solvent.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany


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Warning

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

338.0 °F - closed cup

flash_point_c

170 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves



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Qiang Huang et al.
European journal of medicinal chemistry, 46(11), 5680-5687 (2011-09-20)
Previously, we have reported the design and synthesis of 4-aryl-1H-1,2,3-triazoles as inhibitors of indoleamine 2,3-dioxygenase (IDO), a promising therapeutic target of cancer. Here, we present the structure-activity relationship and enzyme kinetic studies on a series of 4-aryl-1H-1,2,3-triazoles. Three compounds (1
Jiufeng Li et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 1070, 70-75 (2017-11-02)
Benzotriazole (BTR) and benzothiazole (BTH) derivatives are extensively applied in industrial processes and consumer products, and are thus frequently detected in the environmental matrices. Due to their potential estrogenic effects reported in animal studies, the assessment of human exposure to
Huiyue Mao et al.
Ecotoxicology and environmental safety, 188, 109818-109818 (2019-11-07)
The occurrence, removal efficiency, mass loading and environmental emission of four categories (benzotriazoles; parabens; antimicrobials; benzophenones) of personal care products were simultaneously determined along the whole process line through an integrated approach (involving both dissolved and adsorbed phase) at a



Global Trade Item Number

SKUGTIN
B11400-500G04061835252985
B11400-750G04061833421116
B11400-100G04061833421093