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94-97-3

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94-97-3 Usage

Chemical Properties

OFF-WHITE POWDER

Uses

5-Chlorobenzotriazole is a good inhibitor; it decreases anodic and cathodic reaction rates, and the highest inhibition efficiency was 91.2%. The inhibitory effect of 5-chlorobenzotriazole is explained by the formation of the layer on the copper surface.

Preparation

4-Chloro-2-nitroaniline is used as raw material to produce 4-chloro-1,2-phenylenediamine by reduction of iron powder in acidic medium, and the latter is diazotized and cyclized to obtain 5-chlorobenzotriazole. The yield is 78%.

Check Digit Verification of cas no

The CAS Registry Mumber 94-97-3 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 9 and 4 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 94-97:
(4*9)+(3*4)+(2*9)+(1*7)=73
73 % 10 = 3
So 94-97-3 is a valid CAS Registry Number.
InChI:InChI=1/C7H4ClNS/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H

94-97-3 Well-known Company Product Price

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  • Aldrich

  • (C25201)  5-Chlorobenzotriazole  99%

  • 94-97-3

  • C25201-25G

  • 651.69CNY

  • Detail

94-97-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-Chlorobenzotriazole

1.2 Other means of identification

Product number -
Other names 6-Chloro-1H-benzotriazole

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:94-97-3 SDS

94-97-3Relevant articles and documents

Synthesis of amino, azido, nitro, and nitrogen-rich azole-substituted derivatives of 1H-benzotriazole for high-energy materials applications

Srinivas, Dharavath,Ghule, Vikas D.,Tewari, Surya P.,Muralidharan, Krishnamurthi

, p. 15031 - 15037 (2012)

The amino, azido, nitro, and nitrogen-rich azole substituted derivatives of 1H-benzotriazole have been synthesized for energetic material applications. The synthesized compounds were fully characterized by 1H and 13C NMR spectroscopy, IR, MS, and elemental analysis. 5-Chloro-4-nitro-1H-benzo[1,2,3]triazole (2) and 5-azido-4,6-dinitro-1H-benzo[1, 2,3]triazole (7) crystallize in the Pca21 (orthorhombic) and P2 1/c (monoclinic) space group, respectively, as determined by single-crystal X-ray diffraction. Their densities are 1.71 and 1.77 g cm -3, respectively. The calculated densities of the other compounds range between 1.61 and 1.98 g cm-3. The detonation velocity (D) values calculated for these synthesized compounds range from 5.45 to 8.06 km s-1, and the detonation pressure (P) ranges from 12.35 to 28 GPa.

Synthesis of Structurally Diverse Benzotriazoles via Rapid Diazotization and Intramolecular Cyclization of 1,2-Aryldiamines

Faggyas, Réka J.,Sloan, Nikki L.,Buijs, Ned,Sutherland, Andrew

, p. 5344 - 5353 (2019/05/21)

An operationally simple method has been developed for the preparation of N-unsubstituted benzotriazoles by diazotization and intramolecular cyclization of a wide range of 1,2-aryldiamines under mild conditions, using a polymer-supported nitrite reagent and p-tosic acid. The functional group tolerance of this approach was further demonstrated with effective activation and cyclization of N-alkyl, -aryl, and -acyl ortho-aminoanilines leading to the synthesis of N1-substituted benzotriazoles. The synthetic utility of this one-pot heterocyclization process was exemplified with the preparation of a number of biologically and medicinally important benzotriazole scaffolds, including an α-amino acid analogue.

Making endo-cyclizations favorable again: A conceptually new synthetic approach to benzotriazoles via azide group directed lithiation/cyclization of 2-azidoaryl bromides

Ageshina, Alexandra A.,Chesnokov, Gleb A.,Topchiy, Maxim A.,Alabugin, Igor V.,Nechaev, Mikhail S.,Asachenko, Andrey F.

, p. 4523 - 4534 (2019/05/17)

Although benzotriazoles are important and ubiquitous, currently there is only one conceptual approach to their synthesis: bridging the two ortho-amino groups with an electrophilic nitrogen atom. Herein, we disclose a new practical alternative-the endo-cyclization of 2-azidoaryl lithiums obtained in situ from 2-azido-aryl bromides. The scope of the reaction is illustrated using twenty-four examples with a variety of alkyl, alkoxy, perfluoroalkyl, and halogen substituents. We found that the directing effect of the azide group allows selective metal-halogen exchange in aryl azides containing several bromine atoms. Furthermore, (2-bromophenyl)diazomethane undergoes similar cyclization to give an indazole. Thus, cyclizations of aryl lithiums containing an ortho-X = Y = Z group emerge as a new general approach for the synthesis of aromatic heterocycles. DFT computations suggested that the observed endo-selectivity applies to the anionic cyclizations of other functionalities that undergo "1,1-additions" (i.e., azides, diazo compounds, and isonitriles). In contrast, cyclizations with the heteroatomic functionalities that follow the "1,2-addition" pattern (cyanates, thiocyanates, isocyanates, isothiocyanates, and nitriles) prefer the exo-cyclization path. Hence, such reactions expand the current understanding of stereoelectronic factors in anionic cyclizations.

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