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| | N-Chlorosaccharin Basic information |
| | N-Chlorosaccharin Chemical Properties |
| Melting point | 148-152 °C (lit.) | | Boiling point | 388.6±25.0 °C(Predicted) | | density | 1.77±0.1 g/cm3(Predicted) | | storage temp. | Sealed in dry,2-8°C | | solubility | soluble in Toluene | | form | powder to crystaline | | pka | -24.37±0.20(Predicted) | | color | White to Almost white | | InChI | InChI=1S/C7H4ClNO3S/c8-9-7(10)5-3-1-2-4-6(5)13(9,11)12/h1-4H | | InChIKey | VKWMGUNWDFIWNW-UHFFFAOYSA-N | | SMILES | S1(=O)(=O)C2=C(C=CC=C2)C(=O)N1Cl | | CAS DataBase Reference | 14070-51-0 |
| Hazard Codes | Xn | | Risk Statements | 20/21/22-40 | | Safety Statements | 22-26-36/37/39 | | WGK Germany | 3 | | HS Code | 29251100 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Carc. 2 |
| | N-Chlorosaccharin Usage And Synthesis |
| Chemical Properties | White to off-white crystalline powder | | Synthesis | 1. Saccharin (6.0 g) was dissolved in methanol (120 mL), stirred at room temperature, tert-butyl hypochlorite (5 mL) was added slowly, and the reaction was carried out for 5 min to obtain N-chlorophthaloylbenzimide intermediate 1a (6.0 g, 84% yield).
2. Intermediate 1a (3.0 g) was mixed with silver trifluoromethylsulfide (3.6 g) in acetonitrile (40 mL), and the reaction was stirred at room temperature for 10 min to obtain the target product N-chlorophthaloylbenzimide 1 (3.3 g, 86% yield).
Note: The product 1 is a white solid at room temperature, easily soluble in organic solvents such as dichloromethane, chloroform, acetone and acetonitrile. | | References | [1] Synlett, 2006, # 2, p. 194 - 200
[2] Angewandte Chemie, International Edition, 2014, vol. 53, # 35, p. 9316 - 9320,5
[3] Angewandte Chemie, 2014, vol. 126, # 35, p. 9470 - 9474,5
[4] Patent: CN104945294, 2016, B. Location in patent: Paragraph 0135; 0136; 0137; 0138
[5] Patent: CN104945298, 2016, B. Location in patent: Paragraph 0187; 0188; 0189; 0190 |
| | N-Chlorosaccharin Preparation Products And Raw materials |
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