BENZTHIAZIDE CAS 91-33-8
Introduction：Basic information about BENZTHIAZIDE CAS 91-33-8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
BENZTHIAZIDE Basic information
| Product Name: | BENZTHIAZIDE |
| Synonyms: | 6-Chloro-3-[[(phenylMethyl)thio]Methyl]-2H-1,2,4-benzothiadiazine-7-sulfonaMide 1,1-Dioxide;((benzylthio)methyl)-3chloro-6dioxyde-1,1sulfonamide-7benzothiadiazine-1,2,;-1,-dioxide;2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-((benzylthio)methyl)-6-chloro-, 1,1-dioxide;2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-(((phenylmethyl)thio)methyl)-, dioxide;2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-[[(phenylmethyl)thio]methyl]-, 1,1-dioxide;2h-1,2,4-benzothiadiazine-7-sulfonamide,3-((benzylthio)menthyl)-6-chloro-,1,1;2h-1,2,4-benzothiadiazine-7-sulfonamide,6-chloro-3-(((phenylmethyl)thio)methyl |
| CAS: | 91-33-8 |
| MF: | C15H14ClN3O4S3 |
| MW: | 431.94 |
| EINECS: | 202-061-0 |
| Product Categories: | Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds;AQUATAG;Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks;Others;S-Containing;Heterocyclic Compounds |
| Mol File: | 91-33-8.mol |
BENZTHIAZIDE Chemical Properties
| Melting point | 231-232° (U.S. patent); mp 238-239° (P'an) |
| Boiling point | 680.6±65.0 °C(Predicted) |
| density | 1.4176 (rough estimate) |
| refractive index | 1.6100 (estimate) |
| storage temp. | Refrigerator |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 9.57±0.20(Predicted) |
| form | Solid |
| color | White to Off-White |
| Water Solubility | 2.8mg/L(room temperature) |
| InChI | 1S/C15H14ClN3O4S3/c16-11-6-12-14(7-13(11)25(17,20)21)26(22,23)19-15(18-12)9-24-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,18,19)(H2,17,20,21) |
| InChIKey | NDTSRXAMMQDVSW-UHFFFAOYSA-N |
| SMILES | NS(=O)(=O)c1cc2c(NC(CSCc3ccccc3)=NS2(=O)=O)cc1Cl |
| EPA Substance Registry System | 2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-[[(phenylmethyl)thio]methyl]-, 1,1-dioxide (91-33-8) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 42/43 |
| Safety Statements | 26-36 |
| WGK Germany | 2 |
| RTECS | DK8400000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Resp. Sens. 1 Skin Sens. 1 |
| Hazardous Substances Data | 91-33-8(Hazardous Substances Data) |
| Toxicity | LD50 in mice, rats (mg/kg): >5000, >10000 orally; 410, 422 i.v. (P'an) |
| Originator | Exna,Robins,US,1960 |
| Uses | Benzthiazide is a diuretic, antihypertensive agent. |
| Definition | ChEBI: 7-Sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by chlorine and that at position 3 is substituted by a benzylsulfanylmethyl group. A diuretic, it is used to treat hypertension and edema. |
| Manufacturing Process | The preparation of the dihydro analog is as follows: (A) Preparation of 3-Chloromethyl-6-Chloro-7-Sulfamyl-3,4-DihydroBenzothiadizine-1,1-Dioxide - To 8 ml of 40-50% chloroacetaldehyde aqueoussolution and 7 ml of dimethylformamide are added 10 grams of 2,4-disulfamyl-5-chloroaniline. The mixture is heated on a steam bath for 2 hoursafter which it is concentrated at reduced pressure. The residue is trituratedwith water. The solid material is recrystallized from methanol-ether aftertreatment with activated carbon to give 7.2 grams of product, MP 229°-230°C. (B) Preparation of Benzylthiomethyl-6-Chloro-7-Sulfamyl-3,4-Dihydrobenzothiadiazine-1,1-Dioxide - A mixture of 3-(chloromethyl)-6-chloro-7-sulfamyl-3,4-dihydrobenzothiadiazine-1,1-dioxide (0.02 mol) andbenzylmercaptan (0.024 mol) in 20 ml of 10% sodium hydroxide and 20 ml ofdimethylformamide is stirred at room temperature for 6 hours. After heatingfor 10 minutes on a steam bath, the mixture is cooled and acidified with 6 NHCl. The product, after recrystallization from acetone, melts at 210°-211°C. |
| Brand name | Aquatag(Solvay Pharmaceuticals); Fovane (Pfizer). |
| Therapeutic Function | Diuretic, Antihypertensive |
| Safety Profile | Poison by intravenous route. Adiuretic and antihypertensive agent. When heated todecomposition it emits very toxic fumes of SOx, NOx, andCl-. |
BENZTHIAZIDE Preparation Products And Raw materials
| Raw materials | Chloroacetaldehyde-->Benzyl mercaptan |
