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MilliporeSigma

B11400

Sigma-Aldrich

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:
95-14-7
Molecular Weight:
119.12
Beilstein/REAXYS Number:
112133
EC Number:
202-394-1
MDL number:
MFCD00005699
UNSPSC Code:
12352100
PubChem Substance ID:
57653915
NACRES:
NA.21

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Product Name

Benzotriazole, ReagentPlus®, 99%

vapor density

4.1 (vs air)

Quality Level

200

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

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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

pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

Hazard Classifications

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

Storage Class

11 - Combustible Solids

wgk_germany

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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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ6425
MKCP0866
WXBD3408V
WXBD3071V
WXBD2422V

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Synthesis, Characterization and Energetic Properties of 1, 3, 4-Oxadiazoles
Wang Z, et al.
European Journal of Organic Chemistry, 2015, 5183-5188 (2015)
Derivatization of 1-phenyl substituted 4-amino-2-benzazepin-3-ones: evaluation of Pd-catalyzed coupling reactions
Ballet S, et al.
Tetrahedron, 63, 3718-3727 (2007)
Martin Krug et al.
ChemMedChem, 6(1), 63-72 (2010-12-09)
Within the last decade, interest in the development of new anticancer drugs increased mainly from emerging resistance against established drugs, which were found to be limited by the multidrug resistance (MDR) phenomenon. Several anticancer targets have been investigated for the
Monica Tonelli et al.
Materials (Basel, Switzerland), 13(14) (2020-07-19)
The ingress of water, as a vehicle for many harmful substances, is the main cause of all the major physical and chemical degradation processes affecting concrete buildings. To prevent damage and protect concrete surfaces, coatings are generally used. Cement-based coatings
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
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