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Di[(2H3)methyl]sulfoxid
DMSO-D6 · DIMETHYL-D6 SULFOXIDE · DeuterodiMethyl sulfoxide-d6 · DMSO DEUTERATED · Dimethylsulfoxid-d6 · (METHYL SULFOXIDE)-D6 · ((Methyl-d3)sulfinyl)methane-d3 · Dimethyl sulfoxide-d6 99.9 atom % D, contains 1 % (v/v) TMS
![Molekülstruktur von Di[(2H3)methyl]sulfoxid](/img/chemical/75151.png)
Identifikatoren & physikalische Daten
| CAS No. | 2206-27-1 |
|---|---|
| Summenformel | C2H6OS |
| Durchschnittliche Molmasse | 84,17 g/mol |
| Monoisotopische Masse | 84,05159629 g/mol |
| SMILES | [2H]C([2H])([2H])S(=O)C([2H])([2H])[2H] |
| InChIKey | IAZDPXIOMUYVGZ-WFGJKAKNSA-N |
| PubChem CID | 75151 |
| ChEBI | CHEBI:193041 |
| EC No. | 218-617-0 |
| DTXSID | DTXSID90944686 |
| Lokaler Name | Di[(2H3)methyl]sulfoxid |
Chemische & physikalische Eigenschaften
| XLogP | -0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 36,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 4 |
| Formalladung | 0 |
| Komplexität | 29 |
| Solvents | Solvents -> Other Solvents |
| Dichte | 1.19 @25 °C1.190 g/mL at 25 °C(lit.) |
| Schmelzpunkt | 18 °C20.2 °C |
| Dampfdruck | 0.41 [mmHg]0.42 mm Hg ( 20 °C) |
| Physical Description | Hygroscopic liquid[Sigma-Aldrich MSDS] |
| Siedepunkt | 189°C |
| Brechungsindex | n20/D 1.476(lit.) |
| Flammpunkt | 185 °F |
| Lagerbedingungen | no restrictions. |
| Löslichkeit | Minimum isotopic purity 99.96%Miscible with water and with almost all organic solvents such as alcohols, esters, ketones, chlorinated solvents and aromatic hydrocarbons. |
| Aggregatzustand | Liquid |
| Wichte | 1.190 |
| Farbe | Colorless |
| Explosionsgrenze | 1.8-63%(V) |
| BRN | 1237248 |
| Stabilität | Stable. Combustible. Moisture sensitive. Incompatible with acid chlorides, strong acids, phosphorus halides, strong oxidizing agents, strong reducing agents. Reacts violently with a wide range of materials - consult a full MSDS sheet before starting use. |
| InChI | 1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3 |
| InChIKey | IAZDPXIOMUYVGZ-WFGJKAKNSA-N |
| SMILES | [2H]C([2H])([2H])S(=O)C([2H])([2H])[2H] |
| LogP (Verteilungskoeffizient) | -0.69 at 20℃ and pH7 |
| CAS Datenbank | 2206-27-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 63.6% (7 of 11) of all reports.WarningH315 (27.3%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 11 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Methane-d3, sulfinylbis-Status: Active Update: 16-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/27759Methane-d3, sulfinylbis-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Methane-d3, sulfinylbis-: Human health tier I assessment |
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] See Dimethyl sulfoxide. See Deuterium. |
| Hazard Classes and Categories | Skin Irrit. 2 (27.3%) |
| Protective Action Criteria (PAC) | 320 [mg/m3]730 [mg/m3]2900 [mg/m3] |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | NA 1993 / PGIII |
| Zollcode | 2845 90 10 |
| RTECS-Nr. | PV6210000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | LD50 orally in Rabbit: 14500 mg/kg LD50 dermal Rat 40000 mg/kg |
| Gefahrensymbole | Xi |
Anwendungen & Verwendung
Verwenden
(Dimethyl Sulfoxide-d6) DMSO is a very common aprotic solvent that is used in a variety of organic chemical reactions and spectroscopic analyses.