| Identification | Back Directory | [Name]
2(3H)-Benzothiazolethione,7-chloro-(9CI) | [CAS]
1849-73-6 | [Synonyms]
7-Chloro-2-mercaptobenzothiazole
7-Chlorobenzo[d]thiazole-2-thiol
2-Mercapto-7-chlorobenzothiazole
7-Chloro-2(3H)-benzothiazolethione
7-Chloro-1,3-benzothiazole-2-thiol
7-Chloro-3H-benzothiazole-2-thione
2(3H)-Benzothiazolethione, 7-chloro
7-chlorobenzo[d]thiazole-2(3H)-thione
7-chloro-3H-1,3-benzothiazole-2-thione
2(3H)-Benzothiazolethione,7-chloro-(9CI)
7-chloro-2,3-dihydro-1,3-benzothiazole-2-thione | [Molecular Formula]
C7H4ClNS2 | [MDL Number]
MFCD11656576 | [MOL File]
1849-73-6.mol | [Molecular Weight]
201.7 |
| Chemical Properties | Back Directory | [Melting point ]
245-247 °C | [Boiling point ]
326.2±44.0 °C(Predicted) | [density ]
1.60±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
solid | [pka]
8.86±0.20(Predicted) | [Appearance]
White to off-white Solid | [InChI]
1S/C7H4ClNS2/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,(H,9,10) | [InChIKey]
VPDPFMGWDPYVEK-UHFFFAOYSA-N | [SMILES]
Sc1nc2cccc(Cl)c2s1 |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302 | [Precautionary statements ]
P280-P305+P351+P338 | [WGK Germany ]
WGK 3 | [HS Code ]
2934208090 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral |
| Hazard Information | Back Directory | [Uses]
7-Chlorobenzo[d]thiazole-2(3H)-thione is a useful reactant for the chlorination of 2-?mercaptobenzothiazoles using sulfuryl chloride?/water. | [Synthesis]
General procedure for the synthesis of 7-chlorobenzo[d]thiazole-2(3H)-thione from 3-chloro-2-fluoroaniline and potassium ethylxanthate: 3-chloro-2-fluoroaniline (>3 g, 1.0 eq.) and potassium ethylxanthate (1.5-1.7 eq.) were added to a round bottom flask. The mixture was dissolved in N,N-dimethylformamide (DMF, 10 v/v), heated to 120-130 °C, and the reaction was carried out until 3-chloro-2-fluoroaniline was completely consumed (monitored by TLC, reaction time 3-14 h). After completion of the reaction, the reaction mixture was cooled to room temperature and filtered. The filtrate was diluted with deionized water (50 v/v) and the pH was adjusted to 1-2 with 2M aqueous hydrochloric acid.The precipitated solid was collected by filtration, washed with deionized water and dried to give 7-chlorobenzo[d]thiazole-2(3H)-thione in pure form. | [References]
[1] Synthesis (Germany), 2018, vol. 50, # 10, p. 2027 - 2032 |
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| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Modachem Shanghai Co., Ltd
|
| Telephone: |
+86 (0)21 51320687 51371369 1744605818 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList16334/0_EN.htm |
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