B11400

Benzotriazole

ReagentPlus^®, 99%

• Synonym(s): 1,2,3-Benzotriazole, 1H-Benzotriazole
• Empirical Formula (Hill Notation): C₆H₅N₃
• CAS Number: 95-14-7
• Molecular Weight: 119.12
• Beilstein: 112133
• EC Number: 202-394-1
• MDL number: MFCD00005699
• UNSPSC Code: 12352100
• PubChem Substance ID: 57653915
• NACRES: NA.21

Properties

• 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

Description

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

Safety Information

• Pictograms: GHS07,GHS09
• Signal Word: Warning
• Hazard Statements: H302,H319,H411
• Precautionary Statements: P264 - P273 - P280 - P301 + P312 - P305 + P351 + P338 - P337 + P313
• 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