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Diphenyldisulfid
1,2-diphenyldisulfane · PHENYL DISULFIDE · FEMA 3225 · PHENYL DISULPHIDE · DIPHENYL DISULPHIDE · Diphenyl disulfide ,99% · Nelfinavir Related CoMpound E · usafe-1
Identifikatoren & physikalische Daten
| CAS No. | 882-33-7 |
|---|---|
| Summenformel | C12H10S2 |
| Durchschnittliche Molmasse | 218,3 g/mol |
| Monoisotopische Masse | 218,02239232 g/mol |
| SMILES | c1ccc(SSc2ccccc2)cc1 |
| InChIKey | GUUVPOWQJOLRAS-UHFFFAOYSA-N |
| PubChem CID | 13436 |
| ChEMBL | CHEMBL462861 |
| ChEBI | CHEBI:174102 |
| EC No. | 212-926-4 |
| DTXSID | DTXSID6022131 |
| Lokaler Name | Diphenyldisulfid |
Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 128 |
| Stoffklassen | Other Classes -> Sulfur Compounds |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 4.41 |
| Lebensmittelzusatzstoffe | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.353 (20 °C) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | insoluble in watersoluble in alcohol, ether, carbon disulfide(in ethanol)xylene: soluble3%, clear, colorless to yellowInsoluble in water. |
| Siedepunkt | 310.00 °C. @ 760.00 mm Hg310 °C192 °C (15 mm Hg)191-192 °C (15 mmHg) |
| Schmelzpunkt | 62 - 63 °C58-60 °C (lit.) |
| Physical Description | Colorless solid[Merck Index] White crystalline powder with an unpleasant odor[Alfa Aesar MSDS]orthorhombic needles |
| Brechungsindex | 1,441-1,444 |
| FEMA | 3225 | PHENYL DISULFIDE |
| Flammpunkt | 310°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Solid |
| Farbe | White to off-white |
| Wichte | 1.353 |
| Geruch | at 0.10 % in propylene glycol. sulfurous earthy burnt |
| Geruchsart | sulfurous |
| JECFA Number | 578 |
| BRN | 639794 |
| Stabilität | Stable. Incompatible with strong oxidizing agents, strong bases. |
| InChI | 1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H |
| InChIKey | GUUVPOWQJOLRAS-UHFFFAOYSA-N |
| SMILES | S(Sc1ccccc1)c2ccccc2 |
| LogP (Verteilungskoeffizient) | 4.41 |
| CAS Datenbank | 882-33-7(CAS DataBase Reference) |
| NIST chemische Informationen | Disulfide, diphenyl(882-33-7) |
| EPA chemische Informationen | Diphenyl disulfide (882-33-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98.6%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 141 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302: Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Chemical: Disulfide, diphenylDisulfide, diphenyl: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Oral LD50 (female rat) > 300-2,000 mg/kgAnemia and changes of the liver and kidney observed in repeated-dose oral study of rats at 30 mg/kg/dayNo adverse effects on reproductive or developmental toxicity parameters seen at doses up to 30 mg/kg/dayNo evidence of mutagenicity[JECDB] Safe when used as a flavoring agent in food[JECFA] A skin and strong eye irritant[Alfa Aesar MSDS] See Diallyl disulfide and Benzyl disulfide. |
| Hazard Classes and Categories | Skin Irrit. 2 (98.6%)Acute toxicity (Oral) - Category 4 |
| F | 13 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3335 |
| Zollcode | 29093090 |
| RTECS-Nr. | SS6825000 |
| R-Sätze (R) | 36/37/38-50/53 |
| Gefahrensymbole | Xi,N |
| hazard_note | Irritant |
| Sicherheitshinweise (S) |
Anwendungen & Verwendung
Occurrence
Naturally occurring phytoalexin-like substan
Verwenden
Diphenyl disulfide is one of the most popular organic disulfides used in organic synthesis. It is used as a reagent for the α-phenylsulfenylation of carbonyl compounds. It participates in hydrothiolation of alkynes via amine-mediated single electron transfer mechanism. It is the hydrolysis product of dyfonate.
Herstellung & Synthese
synthetische
By heating and passing a stream of air over an ammoniacal solution of thiophenol.