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ChemicalBook--->CAS DataBase List--->22034-13-5

22034-13-5

22034-13-5 Structure

22034-13-5 Structure
IdentificationBack Directory
[Name]

4-BROMO-2,1,3-BENZOTHIADIAZOLE
[CAS]

22034-13-5
[Synonyms]

BT-BR
AKOS BBS-00002903
IFLAB-BB F1918-0061
4-BROMO-2,1,3-BENZOTHIAZOLE
4-bromo-2,1,3-benzothiadiazoL
4-BROMO-2,1,3-BENZOTHIADIAZOLE
4-Bromobenzo[2,1,3]thiadiazole
4-Bromo-benzo[1,2,5]thiadiazole
2,1,3-Benzothiadiazole, 4-bromo-
4-BroMobenzo[c][1,2,5]thiadiazole
6-bromobenzo[c][1,2,5]7-thiadiazole
[EINECS(EC#)]

1533716-785-6
[Molecular Formula]

C6H3BrN2S
[MDL Number]

MFCD00614355
[MOL File]

22034-13-5.mol
[Molecular Weight]

215.07
Chemical PropertiesBack Directory
[Melting point ]

80 °C
[Boiling point ]

272.2±13.0 °C(Predicted)
[density ]

1.859±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[form ]

solid
[pka]

-1.02±0.45(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P280-P305+P351+P338-P310
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

22
[HS Code ]

2934999090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Thionyl chloride-->Government regulation-->Benzene-->Pyridine-->Hydrogen bromide-->o-Phenylenediamine-->4-Aminobenzo-2,1,3-thiadiazole
[Preparation Products]

4,7-DIBROMO-2,1,3-BENZOTHIADIAZOLE
Hazard InformationBack Directory
[Uses]

The Sonogashira cross-coupling reaction between 4-bromo-2, 1,3-benzothiadiazole, and the respective para-substituted phenylethynyl derivatives could synthesize the BTDs. In addition, the BTD-Ph is prepared by reacting 4-bromo-2,1,3-benzothiadiazole (Br-BTD)and palladium-MAI catalyst, and the dynamic phenylboronic acid reagent in the starting system or dynamic o-amino pyridine reagent[1-2].
[References]

[1] Pradhan, Asit Kumar et al. “Effects of donor and acceptor substituents on the photophysics of 4-ethynyl-2,1,3-benzothiadiazole derivatives?.” Physical Chemistry Chemical Physics 42 (2023): 29327–29340.
[2] AMARO DA SILVEIRA NETO B; CORREA J R; OLIVEIRA CARVALHO T; PIMENTA ROCHA CARVALHO P. "Selective cellular markers in selective cellular imaging of organelles such as mitochondria, nucleus and other organelles, are derived from 4-bromo-2,1,3-benzothiadiazole nucleus via homogeneous catalysis of palladium complex" BR102016025541(A2)
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