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Home > Encyclopedia > 2,7-Dichlorobenzothiazole

2,7-Dichlorobenzothiazole

2,7-Dichlorobenzothiazole structure

2,7-Dichlorobenzothiazole 

structure
  • CAS No:

    2942-23-6

  • Formula:

    C7H3Cl2NS

  • Chemical Name:

    2,7-Dichlorobenzothiazole

  • Synonyms:

    2,7-Dichlorobenzo[d]thiazole;2,7-dichlorobenzothiazole;2,7-dichloro-1,3-benzothiazole;2,7-Dichloro benzothiazole;BENZOTHIAZOLE, 2,7-DICHLORO-;Benzothiazole,2,7-dichloro-;SCHEMBL1851438;CTK4G3282;KS-00000QIO;DTXSID70462272

2,7-Dichlorobenzothiazole Basic Attributes

204.08

202.936325

DTXSID70462272

2934200090

Characteristics

41.1

4

1.6±0.1 g/cm3

286.8°C at 760 mmHg

127.2±19.8 °C

1.701

2,7-Dichlorobenzothiazole Use and Manufacturing

General procedure: A mixture of the 2-mercaptobenzo[d]thiazole (>1 g, 1 equiv) and sul-furyl chloride (10 equiv) was stirred at 20–25 °C for 15 min. Next, H 2 O(2 equiv) was added and the mixture was stirred at 20–25 °C for anadditional 3 h. A sample was taken, quenched with MeCN/H 2 O (2:1)and analyzed by HPLC. After completion of the reaction, the mixturewas diluted with MeCN (5 volumes) and slowly quenched with H 2 O(20 volumes). The product precipitated from the aqueous solution.The solid was collected and washed with H 2 O. Drying under vacuumafforded the pure product. In the case of the liquid product 2-chloro-benzo[d]thiazole (13), the reaction mixture was extracted withEtOAc. The organic layer was then dried and concentrated to affordthe product as an oil.

Computed Properties

Molecular Weight:204.08
XLogP3:4
Hydrogen Bond Acceptor Count:2
Exact Mass:202.9363257
Monoisotopic Mass:202.9363257
Topological Polar Surface Area:41.1
Heavy Atom Count:11
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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