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3-Chloro-1,2-benzisothiazole

3-Chloro-1,2-benzisothiazole Structure
3-Chloro-1,2-benzisothiazole structure
CAS No.
7716-66-7
Chemical Name:
3-Chloro-1,2-benzisothiazole
Synonyms
3-Chloro-1;2-benzoisothiazole;RSSYY(Iberdomide)-13;Lurasidone Impurity 82;3-CHLOROBENZISOTHIAZOLE;CHLOROBENZO[D]ISOTHIAZOLE;ZIPRASIDONE INTERMEDIATES;3-chloro-1,2-benzothiazole;3-Chlor-1,2-benzisothiazol;3-Choro-1,2-benzisothiazole
CBNumber:
CB3227413
Molecular Formula:
C7H4ClNS
Molecular Weight:
169.63
MDL Number:
MFCD00673254
MOL File:
7716-66-7.mol
Last updated:2025-07-24 18:13:52
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3-Chloro-1,2-benzisothiazole Properties

Melting point 38-39°C
Boiling point 80-86°C 0,75mm
Density 1.435±0.06 g/cm3(Predicted)
Flash point 80-86°C/0.75mm
storage temp. Keep in dark place,Sealed in dry,Room Temperature
solubility Soluble in Chloroform, Dichloromethane and Ethyl Acetate.
pka 1.05±0.50(Predicted)
form Solid
color White
BRN 119370
InChI InChI=1S/C7H4ClNS/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H
InChIKey BCPVKLRBQLRWDQ-UHFFFAOYSA-N
SMILES S1C2=C(C=CC=C2)C(Cl)=N1
CAS DataBase Reference 7716-66-7(CAS DataBase Reference)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H335-H315-H319
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36/37/39-37
Hazard Note  Irritant
HS Code  29349990
NFPA 704
1
2 0

3-Chloro-1,2-benzisothiazole price More Price(33)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TCI Chemical C1991 3-Chloro-1,2-benzisothiazole >98.0%(GC) 7716-66-7 25g $65 2025-07-31 Buy
TRC C364605 3-Chloro-1,2-benzisothiazole 7716-66-7 1g $45 2021-12-16 Buy
Usbiological 006315 3-Chloro-1- 7716-66-7 250mg $460 2021-12-16 Buy
AK Scientific J20111 3-Chloro-1,2-benzoisothiazole 7716-66-7 500g $471 2021-12-16 Buy
SynQuest Laboratories 7H70-5-W8 3-Chloro-1,2-benzisothiazole 7716-66-7 100g $474 2021-12-16 Buy
Product number Packaging Price Buy
C1991 25g $65 Buy
C364605 1g $45 Buy
006315 250mg $460 Buy
J20111 500g $471 Buy
7H70-5-W8 100g $474 Buy

3-Chloro-1,2-benzisothiazole Chemical Properties,Uses,Production

Chemical Properties

White Solid

Uses

3-Chloro-1,2-benzisothiazole is used as an intermediate of Ziprasidone.

Synthesis

1,2-Benzisothiazol-3(2H)-one

2634-33-5

3-Chloro-1,2-benzisothiazole

7716-66-7

Example 1A: To a 1 L four-necked round-bottomed flask equipped with a mechanical stirrer, a thermometer and a reflux condenser tube were sequentially added 75.6 g (0.5 mol) of 1,2-benzisothiazol-3-one, 54.8 g (0.75 mol) of N,N-dimethylformamide (DMF) and 100.0 g of chlorobenzene as a solvent. Stirring was turned on and the temperature of the reaction system was maintained between 70 °C and 80 °C, followed by the slow dropwise addition of 71.4 g (0.6 mol) of thionyl chloride (SOCl2) over a period of 1 hour. After the dropwise addition was completed, the reaction mixture was kept at the same temperature and the reaction was continued with stirring for 8 hours. Upon completion of the reaction, the liquid reaction mixture was concentrated under reduced pressure to remove the solvent and unreacted thionyl chloride. The resulting crude product was subjected to decompression distillation at 128 °C under reduced pressure at 0.93 kPa to yield 75.1 g (0.45 mol) of the target product 3-chloro-1,2-benzisothiazole in 90% yield as 1,2-benzisothiazol-3-one.

References

[1] Patent: US5883258, 1999, A
[2] Patent: US2013/5983, 2013, A1. Location in patent: Page/Page column 2-3
[3] Patent: US5883258, 1999, A
[4] Tetrahedron Letters, 2011, vol. 52, # 50, p. 6775 - 6778
[5] Journal of Medicinal Chemistry, 1986, vol. 29, # 3, p. 359 - 369

3-Chloro-1,2-benzisothiazole synthesis

2634-33-5
7716-66-7
Synthesis of 3-Chloro-1,2-benzisothiazole from 1,2-Benzisothiazol-3(2H)-one

3-Chloro-1,2-benzisothiazole Preparation Products And Raw materials

Raw materials

Benzenediazonium-2-carboxylate Benzoyl chloride, 2-(chlorothio)- (9CI) 4-(1,2-benzothiazol-3-yl)morpholine 3-Methoxy-1,2-benzisothiazole 1,2-Benzisothiazol-3(2H)-one
3-Chloro-4-methoxy-1,2,5-thiadiazole 3-Chloro-4-morpholino-1,2,5-thiadiazole 2,2'-dithiodibenzoyl chloride 3,4-Dichloro-1,2,5-thiadiazole 2,2'-Dithiosalicylic acid
Water

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Preparation Products

PEROSPIRONE 3-(1-Piperazinyl)-1,2-benzisothiazole

3-Chloro-1,2-benzisothiazole Suppliers

Global( 303)Suppliers
Supplier Tel Email Country ProdList Advantage
Shaanxi Dideu Medichem Co. Ltd 		+86-29-81148696 +86-17392712697 1022@dideu.com China 3918 58
ShenZhen H&D Pharmaceutical Technology Co., LTD 		+8618627948422 sale@hdimpurity.com China 3681 58
Capot Chemical Co.,Ltd. 		+8613336195806 sales@capot.com China 29733 60
Beijing Cooperate Pharmaceutical Co.,Ltd 		010-60279497 sales01@cooperate-pharm.com CHINA 1803 55
career henan chemical co 		+86-0371-86658258 +8613203830695 sales@coreychem.com China 29855 58
Shenzhen Nexconn Pharmatechs Ltd 		+86-755-89396905 +86-15013857715 admin@nexconn.com China 10406 58
Xiamen AmoyChem Co., Ltd 		+86-86-5926051114 +8615060885618 sales@amoychem.com China 6369 58
Shochem(Shanghai) Co.,Ltd 		86-21-50800795 info@shochem.com CHINA 288 58
Alchem Pharmtech,Inc. 		8485655694 sales@alchempharmtech.com United States 63687 58
CONIER CHEM AND PHARMA LIMITED 		+8618523575427 sales@conier.com China 49730 58
Supplier Advantage
Shaanxi Dideu Medichem Co. Ltd 		58
ShenZhen H&D Pharmaceutical Technology Co., LTD 		58
Capot Chemical Co.,Ltd. 		60
Beijing Cooperate Pharmaceutical Co.,Ltd 		55
career henan chemical co 		58
Shenzhen Nexconn Pharmatechs Ltd 		58
Xiamen AmoyChem Co., Ltd 		58
Shochem(Shanghai) Co.,Ltd 		58
Alchem Pharmtech,Inc. 		58
CONIER CHEM AND PHARMA LIMITED 		58

View Lastest Price from 3-Chloro-1,2-benzisothiazole manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
3-Chloro-1,2-benzisothiazole pictures 2025-08-30 3-Chloro-1,2-benzisothiazole
7716-66-7
 US $0.00 / KG 1KG 98%min 30tons/month WUHAN FORTUNA CHEMICAL CO., LTD
3-Chloro-1,2-benzisothiazole pictures 2025-07-25 3-Chloro-1,2-benzisothiazole
7716-66-7
 US $0.00 / kg 1kg 99% 10000KGS Shaanxi Dideu New Materials Co. Ltd
3-Chloro-1,2-Benzisonthiazole pictures 2025-06-23 3-Chloro-1,2-Benzisonthiazole
7716-66-7
 US $0.00-0.00 / kg 1kg 99% 50000kg Hebei Kingfiner Technology Development Co.Ltd

7716-66-7(3-Chloro-1,2-benzisothiazole)Related Search:

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3-CHLORO-1,2-BENZISOTHIAZOLE 3-CHLORO-1,2-BENZOISOTHIAZOLE 3-CHLORO-BENZO[D]ISOTHIAZOLE 3-CHLOROBENZISOTHIAZOLE CHLOROBENZO[D]ISOTHIAZOLE 3-Chloro-1,2-Benzisonthiazole ZIPRASIDONE INTERMEDIATES 1,2-benzisothiazole,3-(1-piperazinyl)-,monohydrochloride 2H-indole-2-one,6-choro-5-(2-chloroethyl)-1,3-dihydro 3-Choro-1,2-benzisothiazole 2H-indole-2-one,6-choro-5-(2-c 2-benzoisothiazole 3-Chloro-1 3-(3-chlorophenyl)-1,2-thiazole 1,2-Benzisothiazole, 3-chloro- 3-Chloro-1,2-benzisothiazole CAS NO:7716-66-7 3-Chloro-1,2-benzisothiazole(3-cl-BIT) 3-chloro-1 2-benzisothiazole (PRB Stage-III) 3-chloro-1,2-benzothiazole 3-Chloro-1,2-benzisothiazole > 3-Chlor-1,2-benzisothiazol CHLOROBENZO[ChemicalbookD]ISOTHIAZOLE RSSYY(Iberdomide)-13 Lurasidone Impurity 82 7716-66-7 C7H4ClNS C7H4SNCL Intermediates of Dyes and Pigments Sulphur Derivatives Heterocyclic Compounds Heterocycles Intermediates & Fine Chemicals Pharmaceuticals Sulfur & Selenium Compounds