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439541

Sigma-Aldrich

5-(2-Bromophenyl)-1H-tetrazole

98%

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About This Item

Empirical Formula (Hill Notation):
C7H5BrN4
CAS Number:
73096-42-1
Molecular Weight:
225.05
MDL number:
MFCD00151799
UNSPSC Code:
12352100
PubChem Substance ID:
24867518
NACRES:
NA.22

Assay

98%

mp

182-184 °C (lit.)

functional group

bromo

SMILES string

Brc1ccccc1-c2nnn[nH]2

InChI

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

InChI key

YHVBXKTXLJTDRI-UHFFFAOYSA-N

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.[1] Copper-catalyzed reaction of 5-(2-bromophenyl)-1H-tetrazole with ethyl 2-cyanoacetate has been reported to afford ethyl 1,3-diaminoisoquinoline-4-carboxylate.[2]

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

439541-VAR:
439541-BULK:
439541-100G:
439541-1G:
439541-5G:

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Certificates of Analysis (COA)

Lot/Batch Number
STBJ7420
STBD5657V
STBD2960V
STBC5400V
S43727

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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)
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

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