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Dibenzylsulfid
BENZYL SULFIDE · BENZYLSULFID · Benzy Sulfide · BENZYLSULPHIDE · Dibenzyl sulfid · dibenzylsulfane · benzylthioether · DIBENZYL SULFIDE
Identifikatoren & physikalische Daten
| CAS No. | 538-74-9 |
|---|---|
| Summenformel | C14H14S |
| Durchschnittliche Molmasse | 214,33 g/mol |
| Monoisotopische Masse | 214,08162145 g/mol |
| SMILES | c1ccc(CSCc2ccccc2)cc1 |
| InChIKey | LUFPJJNWMYZRQE-UHFFFAOYSA-N |
| PubChem CID | 10867 |
| ChEMBL | CHEMBL1369381 |
| EC No. | 208-703-6 |
| DTXSID | DTXSID6024599 |
| Lokaler Name | Dibenzylsulfid |
Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 137 |
| Stoffklassen | Other Classes -> Sulfur Compounds |
| SpringerMaterials Properties | Crystal structure |
| Dichte | 1.0712 at 122 °F (NTP, 1992) - Denser than waterwill sink1.0583 g/cu cm at 50 °C1.0880 |
| Color/Form | PLATES FROM ETHER OR CHLOROFORMCOLORLESS PLATES |
| Löslichkeit | less than 1 mg/mL at 70 °F (NTP, 1992)Insoluble in watersoluble in ethanol, ether, and CS2.<0.1 g/100 mL at 21 ºC |
| Flammpunkt | greater than 230 °F (NTP, 1992)Flash point > 110 °C>110°C |
| Siedepunkt | Decomposes (NTP, 1992)131 °C / 2mmHg |
| Schmelzpunkt | 120 to 122 °F (NTP, 1992)49.5 °C44-47 °C (lit.) |
| Dampfdruck | 0.000289 [mmHg] |
| Physical Description | Dibenzyl sulfide appears as colorless plates or pale beige crystalline solid with a crippling stench. (NTP, 1992)Colorless or pale beige solid with a crippling stench[CAMEO] |
| Brechungsindex | 1.6170 (estimate) |
| Lagerbedingungen | 0-10°C |
| Aggregatzustand | Crystals |
| Farbe | White |
| Merck | 14,1145 |
| BRN | 1911157 |
| Henry-Konstante | 1.9×100 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C14H14S/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2 |
| InChIKey | LUFPJJNWMYZRQE-UHFFFAOYSA-N |
| SMILES | C(SCc1ccccc1)c2ccccc2 |
| LogP (Verteilungskoeffizient) | 3.169 (est) |
| CAS Datenbank | 538-74-9(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1,1'-[thiobis(methylene)]bis-(538-74-9) |
| EPA chemische Informationen | Dibenzyl sulfide (538-74-9) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Chemical: Benzene, 1,1'-[thiobis(methylene)]bis- |
|---|---|
| DOT-Kennzeichnung | Class 9 |
| Brandgefahren | This chemical is combustible. (NTP, 1992) |
| Gesundheitsgefahren | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| Gefahrenübersicht | If skin contact, wash off thoroughly[MSDSonline] |
| Reaktive Gruppe | Sulfides, Organic |
| Reactivity Profile | Organosulfides, such as DIBENZYL SULFIDE, are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. |
| Air and Water Reactions | Insoluble in water. |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
Anwendungen & Verwendung
Beschreibung
Dibenzylsulfid bildet farblose, wasserunlösliche Kristalle. Die Substanz besitzt nur wissenschaftliches Interesse.
Verwenden
Organic synthesis.