ChemicalBook--->CAS DataBase List--->4845-58-3

4845-58-3

4845-58-3 Structure

4845-58-3 Structure
IdentificationMore
[Name]

2-MERCAPTO-6-NITROBENZOTHIAZOLE
[CAS]

4845-58-3
[Synonyms]

2-MERCAPTO-6-NITROBENZOTHIAZOLE
6-NITRO-2-BENZOTHIAZOLETHIOL
6-NITRO-2-MERCAPTOBENZOTHIAZOLE
AKOS BBS-00006522
2(3H)-Benzothiazolethione, 6-nitro-
2-Benzothiazolethiol, 6-nitro-
2-Benzothiazolinethione, 6-nitro-
6-Nitro-1,3-benzothiazole-2-thiol
6-nitro-2(3h)-benzothiazolethion
6-nitro-2-benzothiazolethio
6-Nitrobenzothiazole-2-thiol
Benzothiazole, 2-mercapto-6-nitro-
Benzothiazole-2-thiol, 6-nitro-
USAF ek-3991
2-Mercapto-6-Nitrobenzothiazol
2(3H)-Benzothiazolethione,6-nitro-(9CI)
6-NITRO-2-MERCAPTOBENZOTHIAZOLE 97+%
[EINECS(EC#)]

204-405-5
[Molecular Formula]

C7H4N2O2S2
[MDL Number]

MFCD00041850
[Molecular Weight]

212.25
[MOL File]

4845-58-3.mol
Questions And AnswerBack Directory
[Synthesis]

There are few reported methods for the synthesis of 2-mercapto-6-nitrobenzothiazole. 2-Mercapto-6-nitrobenzothiazole can be prepared by reacting 2-chloro-6-nitrobenzothiazole with carbon disulfide; or by the nitration of 2-mercaptobenzothiazole. The synthetic reaction formula for 2-mercapto-6-nitrobenzothiazole is shown in the figure below:

Synthesis of 4845-58-3

Experimental Procedure:

Add 2-chloro-6-nitrobenzothiazole, carbon disulfide, and an appropriate amount of adsorbent as a catalyst to a high-pressure reactor. Seal the reactor and heat it with stirring, controlling the reaction temperature within the set range.


After the reaction is complete, the mixture is cooled, and the hydrogen sulfide gas produced is absorbed with a 30% sodium hydroxide solution. The solid residue in the reactor is the crude product, 2-mercapto-6-nitrobenzothiazole. The crude 2-mercapto-6-nitrobenzothiazole is then purified to obtain the final product. The purification process mainly includes the following steps: dissolving in sodium hydroxide solution, filtration, forced-air oxidation, filtration, sulfuric acid acidification, filtration, washing, and vacuum drying.
Chemical PropertiesBack Directory
[Appearance]

yellow powder
[Melting point ]

249-253 °C
[Boiling point ]

389.6±44.0 °C(Predicted)
[density ]

1.5800 (rough estimate)
[refractive index ]

1.6000 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Powder
[pka]

7.84±0.20(Predicted)
[color ]

Yellow
[CAS DataBase Reference]

4845-58-3(CAS DataBase Reference)
[EPA Substance Registry System]

2(3H)-Benzothiazolethione, 6-nitro- (4845-58-3)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R25:Toxic if swallowed.
R20:Harmful by inhalation.
[Safety Statements ]

S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
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 .
[RIDADR ]

2811
[RTECS ]

DL6600000
[TSCA ]

Yes
[HS Code ]

29341000
Hazard InformationBack Directory
[Chemical Properties]

yellow powder
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Mercapto-6-nitrobenzothiazole, 96%(4845-58-3)
[Alfa Aesar]

2-Mercapto-6-nitrobenzothiazole, 96%(4845-58-3)
[TCI AMERICA]

2-Mercapto-6-nitrobenzothiazole,>98.0%(LC)(T)(4845-58-3)
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