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N,N'-Dithiodi-o-phenylendibenzamid
pepton22 · peptisant1o · peptazinbafd · Peptisant-10 · PD-1/PD-L1-IN-58 · 2,2'-Dithiobisbenzan · 2,2'-DITHIODIBENZANILIDE · Chemical plasticizer DBD
Identifikatoren & physikalische Daten
| CAS No. | 135-57-9 |
|---|---|
| Summenformel | C26H20N2O2S2 |
| Durchschnittliche Molmasse | 456,6 g/mol |
| Monoisotopische Masse | 456,09661988 g/mol |
| SMILES | O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1)c1ccccc1 |
| InChIKey | ZHMIOPLMFZVSHY-UHFFFAOYSA-N |
| PubChem CID | 67271 |
| ChEMBL | CHEMBL118148 |
| EC No. | 205-201-9 |
| DTXSID | DTXSID7041629 |
| Lokaler Name | N,N'-Dithiodi-o-phenylendibenzamid |
Chemische & physikalische Eigenschaften
| XLogP | 5,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 109 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 32 |
| Formalladung | 0 |
| Komplexität | 553 |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Dry PowderOther SolidLarge Crystals |
| Collision Cross Section | 194.6 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID7041629] |
| Schmelzpunkt | 143-146°C |
| Siedepunkt | 489.8±30.0 °C(Predicted) |
| Dichte | 1.1875 (rough estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.6360 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly, Sonicated)48μg/L at 20℃ |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 12.54±0.70(Predicted) |
| Farbe | Pale Green to Light Green |
| BRN | 721443 |
| LogP (Verteilungskoeffizient) | 4 at 20℃ |
| CAS Datenbank | 135-57-9(CAS DataBase Reference) |
| EPA chemische Informationen | Benzamide, N,N'-(dithiodi-2,1-phenylene)bis- (135-57-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (96.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 80 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzamide, N,N'-(dithiodi-2,1-phenylene)bis-Benzamide, N,N'-(dithiodi-2,1-phenylene)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzamide, N,N'-(dithiodi-2,1-phenylene)bis- 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)REACH registered substance: N,N'-dithiodi-o-phenylenedibenzamide (EC: 205-201-9)Benzamide, N,N'-(dithiodi-2,1-phenylene)bis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Sens. 1B (96.2%) |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2930.90.2900 |
| RTECS-Nr. | CV8700000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | eye-rbt 500 mg/24H MLD 85JCAE -,1007,86 |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
2,2''-Dithiobisbenzanilide has biological applications. It has been used as peptizing agent for rubber.