HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Toluol-4-sulfonamid
PTSA · TsNH2 · 4-METHYLBENZENESULFONAMIDE · 4-TOLUENESULFONAMIDE · Tosylamide · p-Tosylamide · P-TOLUENESULPHONAMIDE · TOLUENE-4-SULFONAMIDE
Identifikatoren & physikalische Daten
| CAS No. | 70-55-3 |
|---|---|
| Summenformel | C7H9NO2S |
| Durchschnittliche Molmasse | 171,22 g/mol |
| Monoisotopische Masse | 171,03539953 g/mol |
| SMILES | Cc1ccc(S(N)(=O)=O)cc1 |
| InChIKey | LMYRWZFENFIFIT-UHFFFAOYSA-N |
| PubChem CID | 6269 |
| ChEMBL | CHEMBL574 |
| ChEBI | CHEBI:34435 |
| EC No. | 200-741-1 |
| DTXSID | DTXSID8029105 |
| Lokaler Name | Toluol-4-sulfonamid |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 68,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 209 |
| Stoffklassen | Nitrogen Compounds -> Sulfonamides |
| LogP (Verteilungskoeffizient) | log Kow = 0.82 |
| Plasticizers | Plasticizer |
| Color/Form | Monoclinic plates (w+2)White leaflets |
| Löslichkeit | In water, 3.16X10+3 mg/L at 25 °CSlightly soluble in waterSoluble in alcoholSlightly soluble in ethersoluble in ethanolSolubility in water, g/100ml at 25 °C: 0.316DMSO: soluble0.32 g/100 mL (25 º C) |
| Flammpunkt | 202 °C (396 °F) Closed cup202 °C c.c. |
| Siedepunkt | BP: 214 °C at 10 mm Hg221 °C (10 mmHg) |
| Decomposition | Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx), sulfur oxides.When heated to decomposition it emits very toxic fumes of /nitrogen oxides and sulfur oxides/. |
| Schmelzpunkt | 138 °CMP: 105 °C (Hydrated)134-137 °C (lit.) |
| Dampfdruck | 0.000096 [mmHg]Vapor pressure at 25 °C: negligible0.000096 [mm Hg] @25 °C |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Dry PowderLiquidWhite solid[Hawley] White powder[MSDSonline]WHITE CRYSTALS. |
| Dichte | 1.2495 (rough estimate) |
| Dampfdichte | 5.9 (vs air) |
| Brechungsindex | 1.6100 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | 10.20±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White |
| Geruch | Odorless |
| BRN | 472689 |
| Henry-Konstante | 2.1×101 mol/(m3Pa) at 25℃, HSDB (2015) |
| Kosmetik-Inhaltsstoffe Funktionen | PLASTICISERSKIN CONDITIONING - MISCELLANEOUS |
| InChI | 1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10) |
| InChIKey | LMYRWZFENFIFIT-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1)S(N)(=O)=O |
| LogP (Verteilungskoeffizient) | 0.820 |
| CAS Datenbank | 70-55-3(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Methylbenzenesulfonamide(70-55-3) |
| EPA chemische Informationen | p-Toluenesulfonamide (70-55-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 57% (146 of 256) of all reports.WarningH319 (36.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 256 reports by companies from 12 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenesulfonamide, 4-methyl-Benzenesulfonamide, 4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonamide, 4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 27-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10745p-Toluenesulfonamide: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Toluenesulfonamides |
| Brandgefahren | Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| Brandpotenzial | Combustible. |
| Gefahrenübersicht | Used therapeutically, sulfonamides can cause a range of hypersensitivity reactions including rashes and injury to the liver and kidneysMethemoglobinemia has been reported after sulfonamide poisoning[HSDB] An eye irritant[ICSC] Causes somnolence and weakness in subcutaneous lethal-dose studies of guinea pigs[RTECS] An irritant[MSDSonline] |
| FDA-Anforderungen | o- and p-Toluene sulfonamide is an indirect food additive for use as a component of adhesives. /o- and p-Toluene sulfonamide/ |
| Chemical Dangers | Decomposes on burning. This produces toxic fumes including nitrogen oxides and sulfur oxides. Reacts violently with acids, bases and strong oxidants. |
| Toxic Combustion Products |
Anwendungen & Verwendung
Verwenden
p-Toluenesulfonamide was used to prepare the precursor required for synthesis of ethyl 6-phenyl-1-tosyl-1,2,5,6-tetrahydropyridine-3-carboxylate.