HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4,4'-Thiodiphenol
TDP · pharMaceutical interMediate · DFS · 4,4'-Thiodiphenol · 4,4'-Thiodbisphenol · 4,4’-dioxydiphenylsulfide · BIS(4-HYDROXYPHENYL) SULFIDE · Thiodiphenol
Identifikatoren & physikalische Daten
| CAS No. | 2664-63-3 |
|---|---|
| Summenformel | C12H10O2S |
| Durchschnittliche Molmasse | 218,27 g/mol |
| Monoisotopische Masse | 218,04015056 g/mol |
| SMILES | Oc1ccc(Sc2ccc(O)cc2)cc1 |
| InChIKey | VWGKEVWFBOUAND-UHFFFAOYSA-N |
| PubChem CID | 17570 |
| ChEMBL | CHEMBL3183502 |
| ChEBI | CHEBI:38957 |
| EC No. | 220-197-9 |
| DTXSID | DTXSID9047960 |
| Lokaler Name | 4,4'-Thiodiphenol |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 65,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 162 |
| Stoffklassen | Other Classes -> Sulfur Compounds |
| LogP (Verteilungskoeffizient) | 3.34 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Dampfdruck | 0.00000018 [mmHg] |
| Physical Description | Off-white crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 154-156 °C (lit.) |
| Siedepunkt | 328.96°C (rough estimate) |
| Dichte | 1.2618 (rough estimate) |
| Brechungsindex | 1.5200 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Insoluble in water |
| pKa (Säurekonstante) | 9.31±0.26(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to pale brown |
| BRN | 2050739 |
| InChI | 1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H |
| InChIKey | VWGKEVWFBOUAND-UHFFFAOYSA-N |
| SMILES | Oc1ccc(Sc2ccc(O)cc2)cc1 |
| CAS Datenbank | 2664-63-3(CAS DataBase Reference) |
| NIST chemische Informationen | 4-4' Thio diphenol(2664-63-3) |
| EPA chemische Informationen | Phenol, 4,4'-thiobis- (2664-63-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (81.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 55 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Bis(4-hydroxyphenyl)sulfide: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes tearing and conjunctival irritation in acute ocular studies of rabbitsCauses changes in brain circulation (hemorrhage, thrombosis, etc.) in oral lethal-dose studies of mice[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Sigma-Aldrich MSDS] See Phenyl sulfide. |
| Hazard Classes and Categories | Skin Corr. 1B (81.8%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29309070 |
| RTECS-Nr. | SN0800000 |
| R-Sätze (R) | 34 |
| Toxizität | LD50 orally in Rabbit: 3362 mg/kg LD50 dermal Rabbit > 10250 mg/kg |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | 8Eye Irrit. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4,4'-thiobis-phenol can be applied to produce a non-halogen type epoxy (meth)acrylate resin having high refractive index, transparency and thermal stability. It is also used to produce a non-systemic organophosphorus insecticide TEMEPHOS.