| Identification | Back Directory | [Name]
2(3H)-Benzothiazolethione,5-nitro-(9CI) | [CAS]
58759-63-0 | [Synonyms]
5-nitrobenzo[d]thiazole
5-Nitrobenzothiazol-2-thiol
5-Nitrobenzothiazole-2-thiol
5-Nitro-2-benzothiazolethiol
5-nitrobenzo[d]thiazole-2-thiol
5-Nitro-2(3H)-benzothiazolethione
2(3H)-Benzothiazolethione, 5-nitro-
bis(5-nitro-1,3-benzothiazole-2-thiol)
2(3H)-Benzothiazolethione,5-nitro-(9CI)
5-nitro-2,3-dihydro-1,3-benzothiazole-2-thione | [Molecular Formula]
C7H4N2O2S2 | [MDL Number]
MFCD00063382 | [MOL File]
58759-63-0.mol | [Molecular Weight]
212.25 |
| Chemical Properties | Back Directory | [Melting point ]
223-225 °C | [Boiling point ]
380.6±44.0 °C(Predicted) | [density ]
1.68±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
8.18±0.20(Predicted) | [Appearance]
Light yellow to yellow Solid |
| Hazard Information | Back Directory | [Synthesis]
Synthesis of 5-nitrobenzothiazole-2-thiol (12): 2-fluoro-5-nitroaniline (11, 1.00 g, 6.40 mmol) and O-ethyl potassium dithiocarbonate (1.53 g, 9.60 mmol) were dissolved in DMF (15 mL) and reacted at 110 °C overnight under nitrogen protection. After completion of the reaction, it was cooled to room temperature, the reaction mixture was diluted with water and acidified with 1N hydrochloric acid. The precipitate precipitated was collected by filtration, washed with water and dried under vacuum to give the target product 12 (1.27 g, 94% yield). | [References]
[1] Journal of Heterocyclic Chemistry, 2005, vol. 42, # 4, p. 727 - 730
[2] Patent: WO2006/122156, 2006, A2. Location in patent: Page/Page column 126
[3] Patent: WO2016/207785, 2016, A1. Location in patent: Page/Page column 45 |
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