B11400
Benzotriazole
ReagentPlus®, 99%
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
Beilstein:
112133
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.21
Recommended Products
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
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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
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2
Storage Class Code
11 - Combustible Solids
WGK
WGK 2
Flash Point(F)
338.0 °F - closed cup
Flash Point(C)
170 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Synthesis, Characterization and Energetic Properties of 1, 3, 4-Oxadiazoles
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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.
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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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