Trimethyloxosulfoniumiodid

Sulfoxonium, trimethyl-, iodide (1:1)

HCID 74498CAS 1774-47-6

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Grundinformationen

Standard-SMILES: C[S+](C)(C)=O.[I-]
InChIKey: BPLKQGGAXWRFOE-UHFFFAOYSA-M
Summenformel: C3H9IOS
Durchschnittliche Molmasse: 220,07 g/mol
Monoisotopische Masse: 219,94188391

Namen und Bezeichner

Bevorzugter Name: Sulfoxonium, trimethyl-, iodide (1:1)
Lokaler Name: Trimethyloxosulfoniumiodid
Englischer Name: Trimethylsulfoxonium iodide
Summenformel: C3H9IOS
Molmasse: 220.07

Namen und Synonyme

Trimethylsulfoxonium iodide1774-47-6Sulfoxonium, trimethyl-, iodide (1:1)S,S,S-Trimethylsulfoxonium iodideTrimethyl sulphoxonium ioidieEINECS 217-204-2NSC 71213Sulfonium, trimethyl-, iodide, oxidetrimethyl sulphoxonium iodideEC 217-204-2RefChem:186625Sulfoxonium, trimethyl, iodide

Weitere Namen anzeigen

TMSOITrimethylsulfoxoniumTrimethyl sulfoxide iodideTrimethyl sulfoxiderimethylsulfoxonium iodideTrimethylsulfoxonium iodide, 98+%

S,S,STrimethylsulfoxonium iodideSulfonium, trimethyl, iodide, oxideTrimethylsulphoxonium iodideTrimethyloxosulfonium iodideSulfoxonium, trimethyl-, iodideTrimethyloxosulphonium iodideMFCD00011899C3H9IOS

Datenbank-Bezeichner

CAS: 1774-47-6
PubChem CID: 74498
DTXSID: DTXSID001014581
ChEMBL: CHEMBL283149
EC Number: 217-204-2

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 18,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 6
Formalladung: 0
Komplexität: 53

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Sulfur Compounds

Physical DescriptionYellow crystalline powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 208 · 208-212 °C (dec.) (lit.)
Dichte: 1.7074 · 1.7074 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: 2 O: · H2O: 50 mg/mL, clear
Aggregatzustand: Crystalline Powder
Farbe: White to light yellow
PH: pH(50g/l, 25℃) : 4.8～6.0
Wasserlöslichkeit: 15 g/L · 15 g/L (20 ºC)
BRN: 3595854 · 3595854
InChI: InChI=1S/C3H9OS.HI/c1-5(2,3)4;/h1-3H3;1H/q+1;/p-1
InChIKey: BPLKQGGAXWRFOE-UHFFFAOYSA-M
SMILES: [S+](=O)(C)(C)C.[I-]
CAS Datenbank: 1774 · 1774-47-6(CAS DataBase Reference)
EPA chemische Informationen: Sulfoxonium, trimethyl-, iodide (1774-47-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 8.5% (4 of 47) of reports.

Warning

H303 (17%): May be harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P271, P273, P280, P301+P317, 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 47 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 08-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/15834

Sulfoxonium, trimethyl-, iodide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) = 180 mg/kg; [RTECS] An irritant; [Alfa Aesar MSDS] See Dimethyl sulfoxide. See Iodine for the TLV of Iodides.

Hazard Classes and CategoriesAcute Tox. 5 (17%)