5-CHLOROBENZOTHIAZOLE

Product Name: 5-CHLOROBENZOTHIAZOLE
CAS No.: 2786-51-8
Chemical Name: 5-CHLOROBENZOTHIAZOLE
Synonyms: 5-Chlorobenzo[d]thiazole;5-Chlorbenzthiazol;5-CHLOROBENZOTHIAZOLE;Benzothiazole,5-chloro-;5-Chloro-1,3-benzothiazol;5-chloro-1,3-benzothiazole;Benzothiazole, 5-chloro- (6CI,7CI,8CI,9CI)
CBNumber: CB2335333
Molecular Formula: C7H4ClNS
Formula Weight: 169.63
MOL File: 2786-51-8.mol

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5-CHLOROBENZOTHIAZOLE Property

Melting point:: 106 °C
Boiling point:: 267.8±13.0 °C(Predicted)
Density: 1.435±0.06 g/cm3(Predicted)
storage temp.: 2-8°C
solubility: Acetonitrile (Slightly), Chloroform (Slightly)
form: Solid
pka: 0.34±0.10(Predicted)
color: Off-White to Pale Yellow
InChI: InChI=1S/C7H4ClNS/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
InChIKey: YTSFYTDPSSFCLU-UHFFFAOYSA-N
SMILES: S1C2=CC=C(Cl)C=C2N=C1

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Safety

HS Code: 29342000

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

TRC

Product number: C429098
Product name: 5-Chlorobenzo[d]thiazole
Packaging: 500mg
Price: $70
Updated: 2021/12/16

AK Scientific

Product number: 2679AB
Product name: 5-Chlorobenzo[d]thiazole
Packaging: 5g
Price: $226
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0295824
Product name: 5-CHLOROBENZOTHIAZOLE
Purity: 95.00%
Packaging: 5MG
Price: $496.19
Updated: 2021/12/16

Crysdot

Product number: CD11154584
Product name: 5-Chlorobenzo[d]thiazole
Purity: 95+%
Packaging: 1g
Price: $40
Updated: 2021/12/16

Alichem

Product number: 2786518
Product name: 5-Chloro-1,3-benzothiazol
Packaging: 10g
Price: $265.62
Updated: 2021/12/16

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5-CHLOROBENZOTHIAZOLE Chemical Properties,Usage,Production

Chemical Properties

White solid

Uses

5-Chlorobenzo[d]thiazole is used in preparation of Hydroxyl Alkylation derivatives of Benzothiazole.

Synthesis

2941-48-2

2786-51-8

The general procedure for the synthesis of 5-chlorobenzo[d]thiazole from 2,5-dichlorobenzothiazole is as follows: Pd(OAc)2-PPh3, Pd2(dba)3-tbpf, Pd2(dba)3-DavePhos, Pd2(dba)3-P(t-Bu)3, Pd2(dba)3-XantPhos or Pd(OAc)2 -XPhos as catalyst systems. First, anhydrous THF (13.2 mL) was degassed by bubbling argon for a few minutes, followed by the addition of Pd(OAc)2 (7.2 mg, 0.033 mmol, 5 mol%) and PPh3 (17.7 mg, 0.132 mmol, 20 mol%) and stirring the mixture for 30 minutes at room temperature. Next, halogenated heterocycles (0.66 mmol), TMEDA (0.130 g, 1.12 mmol, 1.7 eq.) and NaBH4 (42.4 mg, 1.12 mmol, 1.7 eq.) were added sequentially. The reaction mixture was stirred at room temperature or heated under argon protection at 65 °C for an appropriate time. After completion of the reaction, the residue was dissolved in brine and extracted with ethyl acetate. The organic phase is separated, dried and the solvent is evaporated, and finally the residue is purified by fast chromatography (a solvent mixture of petroleum ether and ethyl acetate) to give the pure hydrodehalogenated heterocyclic product.

References

[1] Journal of Molecular Catalysis A: Chemical, 2014, vol. 393, p. 191 - 209

5-CHLOROBENZOTHIAZOLE Preparation Products And Raw materials

Raw materials

Preparation Products

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5-CHLOROBENZOTHIAZOLE Suppliers

China 66 Europe 1 India 1 United States 5 Global 73

Hangzhou FuRun Pharmaceutical Technology Co., Ltd

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China DongFan Chemical Co.,LTD

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chenyue Chemicals Co., Ltd.

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Beijing Taiya Jie Technology Development Co., Ltd.

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Bide Pharmatech Ltd.

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2786-51-8, 5-CHLOROBENZOTHIAZOLERelated Search:

IR-140 5-Chloro-2-methylbenzothiazole 4-Chloro-2-mercaptobenzothiazole 2-AMINO-5,6-DICHLOROBENZOTHIAZOLE Benzothiazole, 2,5-dichloro- (7CI,8CI,9CI) 5-CHLORO-3-ETHYL-2-METHYLBENZOTHIAZOLIUM P-TOLUENESULFONATE 5-CHLORO-2-[(5-CHLORO-3-(4-SULFOBUTYL)-2(3H)-BENZOTHIAZOLYLIDENE)-2- METHYL- 1-PROPENYL]-3-(4-SULFOBUTYL)- BENZOTHIAZOLIUM HYDROXIDE, INNER SALT, SODIUM SALT (5-CHLORO-BENZOTHIAZOL-2-YLSULFANYL)-ACETIC ACID 2-METHYL-3-SULFOBUTYL-5-CHLOROBENZOTHIAZOLIUM, INNER SALT RARECHEM AL F1 4052 5-CHLORO-3-(3-SULFOPROPYL)-2-((3-(5-CHLORO-3-(3-SULFOPROPYL))-2-BENZOTHIAZOLINYLIDENE] METHYL)-1-BUTENYL) BENZOTHIAZOLIUM HYDROXIDE, INNER SALT 5-CHLORO-3-(3-SULFOPROPYL)-2-[3-(3-(5-CHLORO-3-(3-SULFOPROPYL))-2-BENZOTHIAZOLINYLIDENE]-2-METHYL-1-PROPENYL] BENZOTHIAZOLIUM HYDROXIDE, INNER SALT RARECHEM AL FI 0059 5-CHLORO-2-(3-(3-CARBOXYETHYL-5-CHLORO)-2-BENZOTHIAZOLINYLIDENE)-1-PROPENYL)-3-CARBOXYETHYL BENZOTHIAZOLIUM HYDROXIDE, INNER SALT 5-CHLORO-2-(2-((5-METHYL-3-CARBOXYETHYL-2-(3H)-BENZOSELENOZOZYLIDENE) METHYL)-1-BUTENYL-3-ETHYL-BENZOTHIAZOLIUM IODIDE 5-CHLORO-2-(2-((5,6-DIMETHYL-3-SULFOPROPYL-2(3H)-BENZOTHIAZOLYLIDENE) METHYL)-1-BUTENYL)-3-ETHYL-BENZOTHIAZOLIUM HYDROXIDE, INNERSALT 5-CHLORO-3-(3-SULFOPROPYL)-2-([5-CHLORO-3-(3-SULFOPROPYL)-2,3-DIHYDRO-BENZOTHIAZOL-2-YLIDENE]METHYL)BENZOTHIAZOLIUM INNER SALT TRIETHYLAMMONIUM SALT 5-CHLORO-2-(2-(5-CHLORO-3-(3-SULFOBUTYL)-2(3H)-BENZOTHIAZOLINYLIDENE) METHYL-1-PROPENYL)-3-(3-SULFOBUTYL) BENZOTHIAZOLIUM HYDROXIDE, INNER SALT,TRIETHYLAMINE SALT

5-CHLOROBENZOTHIAZOLE

Benzothiazole, 5-chloro- (6CI,7CI,8CI,9CI)

5-Chlorobenzo[d]thiazole

5-chloro-1,3-benzothiazole

Benzothiazole,5-chloro-

5-Chloro-1,3-benzothiazol

5-Chlorbenzthiazol

2786-51-8

BENZOTHIAZOLE