Lot numbers can be found on the outside label of a product:
3-Chlorobenzo[d]isothiazole 1,1-dioxide
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CAS No. 567-19-1
- Cat. No. CS-0071838
- Purity≥95%
- MDL No.MFCD00835585
*For research and further manufacturing use only, not for direct human use.
![3-Chlorobenzo[d]isothiazole 1,1-dioxide|CS-0071838](https://file.chemscene.com/productPIC/CS-0071838.gif)
Structure of 567-19-1
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General Information
- CAS No. 567-19-1
- Cat. No. CS-0071838
- Purity ≥95%
- MDL No. MFCD00835585
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₄ClNO₂S
- Molecular Weight 201.63
- Synonym(s) Pseudosaccharin chloride
- SMILES O=S1(N=C(C2=CC=CC=C21)Cl)=O
Description
3-Chlorobenzo[d]isothiazole 1,1-dioxide features a fused heterocyclic core with a sulfone group enhancing electronic polarization and stability. This electron-deficient scaffold integrates readily into synthetic sequences requiring strong acceptor character. The chlorine substituent provides a handle for downstream functionalization via nucleophilic substitution or cross-coupling reactions. Bench-stable and moisture-tolerant, it serves as a robust building block in medicinal chemistry and materials synthesis.
Application
3-Chlorobenzo[d]isothiazole 1,1-dioxide serves as a versatile heterocyclic building block in medicinal chemistry, enabling the construction of bioactive scaffolds through well-established coupling reactions. Its electron-deficient isothiazole core facilitates nucleophilic substitution and transition-metal-catalyzed transformations, while the sulfonamide-like dioxide group enhances solubility and metabolic stability. Bench-stable and compatible with diverse functional groups, it functions reliably in multi-step synthesis and process development workflows.
Synthesis
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Route1
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In-stock
![Benzo[d]isothiazole 1,1-dioxide|CS-0667603](https://file.chemscene.com/productPIC/CS-0667603.gif)
5669-05-6 - ~88%
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In-stock
567-19-1
References
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KOREA UNITED PHARM, INC. Patent: WO2004/7518 A1, 2004 ; Location in patent: Page 17 ;
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Route2
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In-stock
81-07-2 - ~82%
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In-stock
567-19-1
References
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Differding, Edmond; Lang, Robert W. Helvetica Chimica Acta, 1989 , vol. 72, p. 1248 - 1252
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Route3
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7719-09-7 -
In-stock
81-07-2
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In-stock
567-19-1
References
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Haffner, Curt D.; Thomson, Stephen A.; Guo, Yu; Petrov, Kimberly; Larkin, Andrew; Banker, Pierette; Schaaf, Gregory; Dickerson, Scott; Gobel, Jeff; Gillie, Dan; Condreay, J. Patrick; Poole, Chuck; Carpenter, Tiffany; Ulrich, John Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 23 p. 6989 - 6992
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05,GHS07
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Signal Word : Danger
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UN#: 3261
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H302-H318
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Precautionary Statements : P264-P270-P280-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 46.5
- LogP 1.3743
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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