Trimethylsulfoniumiodid

Trimethylsulfonium iodide

HCID 75127CAS 2181-42-2

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Grundinformationen

Standard-SMILES: C[S+](C)C.[I-]
InChIKey: VFJYIHQDILEQNR-UHFFFAOYSA-M
Summenformel: C3H9IS
Durchschnittliche Molmasse: 204,08 g/mol
Monoisotopische Masse: 203,94696929

Namen und Bezeichner

Bevorzugter Name: Trimethylsulfonium iodide
IUPAC: trimethylsulfanium iodide
Lokaler Name: Trimethylsulfoniumiodid
Englischer Name: Trimethylsulfonium iodide
Summenformel: C3H9IS
Molmasse: 204.07

Namen und Synonyme

Trimethylsulfonium iodide2181-42-2Trimethylsulphonium iodideSulfonium, trimethyl-, iodideSulfonium, trimethyl-, iodide (1:1)4Z1LIZ2LUNNSC-36713DTXSID30883803RefChem:191822DTXCID001023289218-555-4Trimethylsulfoniumiodide

Weitere Namen anzeigen

Trimethylsulfonium iodinefonium IodidetrimethylsulfaniumTrimethylsulfoniumiodidtrimethylsulfone iodidetrimethyl-sulfoniuiodiderimethylsulfanium,iodide

trimethylsulfanium iodideMFCD00011632trimethylsulfanium;iodidetrimethyl sulfonium iodideNSC36713AKOS000121145D92490Q2453392

Datenbank-Bezeichner

CAS: 2181-42-2
PubChem CID: 75127
DTXSID: DTXSID30883803
ChEMBL: CHEMBL25340
UNII: 4Z1LIZ2LUN
EC Number: 218-555-4

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 5
Formalladung: 0
Komplexität: 8

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Sulfur Compounds

Physical DescriptionColorless crystalline solid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 215 · 215-220 °C (lit.)
Dichte: 1.6554 · 1.6554 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Soluble in water, alcohol, THF, DMSO
Aggregatzustand: Crystalline Powder, Crystals and/or Chunks
Farbe: White to yellow
Wasserlöslichkeit: soluble
BRN: 3555192 · 3555192
InChI: InChI=1S/C3H9S.HI/c1-4(2)3;/h1-3H3;1H/q+1;/p-1
InChIKey: VFJYIHQDILEQNR-UHFFFAOYSA-M
SMILES: [S+](C)(C)C.[I-]
CAS Datenbank: 2181 · 2181-42-2(CAS DataBase Reference)
NIST chemische Informationen: Trimethylsulfonium iodide(2181-42-2)
EPA chemische Informationen: Trimethylsulfonium iodide (2181-42-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 09-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/33060

Trimethylsulphonium iodide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntravenous LD50 (mouse) = 18 mg/kg; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheit und Schutzausrüstung

Threshold Limit Values (TLV)0.01 [ppm], inhalable fraction and vapor, (iodides)

Sicherheitsdaten

F: 8
wgk: 3
tsca: TSCA listed
hs_code: 29309070
RTECS-Nr.: WR8750000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationSulfonium, trimethyl-, iodide (1:1): ACTIVE

Anwendungen

VerwendenTrimethylsulfonium iodide is a salt that is usually dissolved in strong base in order to synthesize epoxides in-situ. Trimethylsulfonium iodide also has the potential to inhibit human placental diamine oxidase.

Darstellung · 1 Eintrag

synthetischeTrimethylsulfoxonium iodide may be prepared by the reaction of dimethyl sulfoxide and iodomethane:(CH3)2SO + CH3I → (CH3)3SO+IAfter standing overnight, the resulting solid white cake is crushed and recrystallized from absolute ethanol to give pure trimethylsulfonium iodide.