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Merck
CN

439541

5-(2-溴苯)-1H-四唑

98%

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经验公式(希尔记法):
C7H5BrN4
化学文摘社编号:
分子量:
225.05
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
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InChI

1S/C7H5BrN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)

SMILES string

Brc1ccccc1-c2nnn[nH]2

InChI key

YHVBXKTXLJTDRI-UHFFFAOYSA-N

assay

98%

mp

182-184 °C (lit.)

functional group

bromo

General description

5-(2-Bromophenyl)-1H-tetrazole is a 5-substituted 1H-tetrazole. It can be synthesized via silica supported sulfuric acid catalyzed [3+2] cycloaddition of nitriles and sodium azide. Copper-catalyzed reaction of 5-(2-bromophenyl)-1H-tetrazole with ethyl 2-cyanoacetate has been reported to afford ethyl 1,3-diaminoisoquinoline-4-carboxylate.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Zhenting Du et al.
International journal of molecular sciences, 13(4), 4696-4703 (2012-05-19)
A silica supported sulfuric acid catalyzed [3+2] cycloaddition of nitriles and sodium azide to form 5-substituted 1H-tetrazoles is described. The protocol can provide a series of 5-substituted 1H-tetrazoles using silica sulfuric acid from nitriles and sodium azide in DMF in
Copper-Catalyzed C-Arylation and Denitrogenation of Tetrazoles: Domino Synthesis of 1, 3-Diaminoisoquinoline Derivatives.
Shi L, et al.
Advanced Synthesis & Catalysis, 355(6), 1177-1184 (2013)

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