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ChemicalBook--->CAS DataBase List--->71216-20-1

71216-20-1

71216-20-1 Structure

71216-20-1 Structure
IdentificationMore
[Name]

5-Bromo-2-mercaptobenzothiazole
[CAS]

71216-20-1
[Synonyms]

2-MERCAPTO-5-CHLOROBENZOXAZOLE
2-METCAPTO-5-CHLORO-BENZOTHIAZOLE
5-Bromo-2-mercaptobenzothiazole
5-CHLORO-1,3-BENZOTHIAZOLE-2-THIOL
5-CHLORO-2-BENZOTHIAZOLETHIOL
5-CHLORO-2-MERCAPTOBENZOTHIAZOLE
5-CHLORO-BENZOTHIAZOLE-2-THIOL
TIMTEC-BB SBB005398
5-BROMO-2-MERCAPTO BENZOTHLAZOLE
5-Bromo-2-Thiobenzothiazole
5-BROMO-2-MERCAPTO BENZIMIDAZOLE
5-CLORO-2-MERCAPTO BENZOTHIAZOLE
2(3H)-BENZOTHIAZOLETHIONE,5-BROMO-
[EINECS(EC#)]

226-235-0
[Molecular Formula]

C7H4BrNS2
[MDL Number]

MFCD00005783
[Molecular Weight]

246.15
[MOL File]

71216-20-1.mol
Chemical PropertiesBack Directory
[Melting point ]

198-200 °C(lit.)
[storage temp. ]

2-8°C
[Appearance]

Yellow to brown Solid
[CAS DataBase Reference]

71216-20-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S22:Do not breathe dust .
[WGK Germany ]

3
[RTECS ]

DL6490000
Hazard InformationBack Directory
[Chemical Properties]

Yellow solid
[Synthesis]

5-Bromobenzothiazole

768-11-6

5-Bromo-2-mercaptobenzothiazole

71216-20-1

General procedure for the synthesis of 5-bromo-2-mercaptobenzothiazole from 5-bromobenzothiazole: 5-bromobenzothiazole (214.08 mg, 1.0 mmol), 1,3-propanedithiol (325 μL, 3.0 mmol), potassium carbonate (552 mg, 4.0 mmol), and DMSO (2 mL) were added into a reaction tube equipped with a magnetic stirrer. The reaction system was displaced three times with nitrogen to remove air, followed by stirring the reaction for 12 h in an oil bath at 120 °C. Upon completion of the reaction, the reaction mixture was transferred to a dispensing funnel and washed with an appropriate amount of water. The pH of the aqueous phase was adjusted to 1-3 with dilute hydrochloric acid, followed by extraction of the organic phase with dichloromethane. The organic phases were combined and dried with anhydrous magnesium sulfate. After filtration, the organic phase was concentrated under reduced pressure and the resulting crude product was purified by column chromatography to give a pink solid product (112.4 mg, 45.7% yield).

[References]

[1] Patent: CN108530374, 2018, A. Location in patent: Paragraph 0032; 0033
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