58-94-6
Product Name:
Chlorothiazide
Formula:
C7H6ClN3O4S2
Synonyms:
6-Chloro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Crystals; white powder. (NTP, 1992) |
|---|---|
| Color/Form | Crystals |
| Odor | ODORLESS |
| Melting Point | 648 to 649 °F (Decomposes) (NTP, 1992) |
| Solubility | >44.4 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | -0.24 |
| LogS | -3.05 |
| Decomposition | When heated to decomposition it emits very toxic fumes of sulfoxides, nitroxides, and /hydrogen chloride/. |
| Caco2 Permeability | -6.72 |
| Dissociation Constants | 6.85 |
| Collision Cross Section | 161 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H334:Sensitisation, respiratory |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P280:Wear protective gloves/protective clothing/eye protection/face protection. P284:Wear respiratory protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 295.7 g/mol |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 294.9488257 g/mol |
| Monoisotopic Mass | 294.9488257 g/mol |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 532 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Crystals; white powder. (NTP, 1992)