ChemicalBook > CAS DataBase List > 3-Chloro-1,2-benzisothiazole

3-Chloro-1,2-benzisothiazole

Product Name
3-Chloro-1,2-benzisothiazole
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
Formula Weight
169.63
MOL File
7716-66-7.mol
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3-Chloro-1,2-benzisothiazole Property

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.
form 
Solid
pka
1.05±0.50(Predicted)
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)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36/37/39-37
Hazard Note 
Irritant
HS Code 
29349990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

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

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

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

P405Store locked up.

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N-Bromosuccinimide Price

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

Chemical Properties

White Solid

Uses

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

Synthesis

2634-33-5

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 Preparation Products And Raw materials

Raw materials

Preparation Products

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

WUHAN FORTUNA CHEMICAL CO., LTD
Product
3-Chloro-1,2-benzisothiazole 7716-66-7
Price
US $0.00/KG
Min. Order
1KG
Purity
98%min
Supply Ability
30tons/month
Release date
2023-01-11
ShenZhen H&D Pharmaceutical Technology Co., LTD
Product
Lurasidone impurity 32 7716-66-7
Price
US $0.00-0.00/mg
Min. Order
10mg
Purity
98%
Supply Ability
500mg
Release date
2024-07-16
Shaanxi Dideu New Materials Co. Ltd
Product
3-Chloro-1,2-benzisothiazole 7716-66-7
Price
US $0.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
10000KGS
Release date
2025-02-19

7716-66-7, 3-Chloro-1,2-benzisothiazoleRelated 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 &gt
  • 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