439541
5-(2-Bromophenyl)-1H-tetrazole
98%
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About This Item
Empirical Formula (Hill Notation):
C7H5BrN4
CAS Number:
Molecular Weight:
225.05
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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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)
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