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B11400

Sigma-Aldrich

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:
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
Pricing and availability is not currently available.

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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1 of 4

This Item
1013387584508.22315
Benzotriazole ReagentPlus®, 99%

B11400

Benzotriazole

Benzothiazole 96%

101338

Benzothiazole

2-(Hydroxymethyl)benzothiazole 97%

758450

2-(Hydroxymethyl)benzothiazole

1H-Benzotriazole for synthesis

8.22315

1H-Benzotriazole

assay

99%

assay

96%

assay

97%

assay

≥99.0% (HPLC)

Quality Level

200

Quality Level

100

Quality Level

100

Quality Level

200

mp

97-99 °C (lit.)

mp

2 °C (lit.)

mp

85-93 °C

mp

99 °C

form

powder

form

-

form

solid

form

solid

vapor density

4.1 (vs air)

vapor density

4.66 (vs air)

vapor density

-

vapor density

-

vapor pressure

0.04 mmHg ( 20 °C)

vapor pressure

34 mmHg ( 131 °C)

vapor pressure

-

vapor pressure

0.053 hPa ( 20 °C)

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.[1][2]

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[3].
  • Acylbenzotriazoles via thionyl chloride catalyzed reaction with nitrobenzoic acids[4].
  • 1-(2-Pyridyl)benzotriazole by reacting with 2-bromopyridine in the presence of toluene as a solvent[5].

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

  • Specification Sheet

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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
    View All Related Papers

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