2-Trimethylsilyl-1,3-dithian

2-Trimethylsilyl-1,3-dithiane

HCID 83413

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Grundinformationen

CAS: 13411-42-2
Standard-SMILES: C[Si](C)(C)C1SCCCS1
InChIKey: BTTUMVHWIAXYPJ-UHFFFAOYSA-N
Summenformel: C7H16S2Si
Durchschnittliche Molmasse: 192,4 g/mol
Monoisotopische Masse: 192,04626904

Namen und Bezeichner

Bevorzugter Name: 2-Trimethylsilyl-1,3-dithiane
IUPAC: 1,3-dithian-2-yl(trimethyl)silane
Lokaler Name: 2-Trimethylsilyl-1,3-dithian
Englischer Name: 2-TRIMETHYLSILYL-1,3-DITHIANE
Summenformel: C7H16S2Si
Molmasse: 192.42

Namen und Synonyme

2-Trimethylsilyl-1,3-dithiane13411-42-22-(Trimethylsilyl)-1,3-dithianeEINECS 236-504-4DTXSID70158542RefChem:483840DTXCID7081033236-504-4(1,3-dithian-2-yl)trimethylsilane1,3-Dithian-2-yl(trimethyl)silane1,3-Dithian-2-yltrimethylsilaneSilane, 1,3-dithian-2-yltrimethyl-

Weitere Namen anzeigen

1,3-Dithiane-2-yltrimethylsilane2-TRIMETHYLSILYL-1,3-DITHIANE 97%1,3-Dithiane, 2-(trimethylsilyl)-2-Trimethylsilyl-1,3-dithiane,97%2-Trimethylsilyl-1,3-dithiane, 98+%2-TRIMETHYLSILYL-1,3-DITHIANE, 99+%(1,3-Dithian-2-yl)trimethylsilane - [D88425]

MFCD00006655[1,3]dithian-2-yl-trimethyl-silanes19325C7H16S2SiSCHEMBL2796472-trimethylsily-1,3-dithiane2-trimethylsilyl-1, 3-dithiane2-(trimethysilyl)-1,3-dithiane

Datenbank-Bezeichner

CAS: 13411-42-2
PubChem CID: 83413
DTXSID: DTXSID70158542
EC Number: 236-504-4
Nikkaji: J317.864A

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 50,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 103

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

Physikochemische Eigenschaften

Siedepunkt: 54 · 54-55 °C0.17 mm Hg(lit.)
Dichte: 1.014 g/mL · 1.014 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.533(lit.)
Flammpunkt: 205 °F · 205 °F
storage temp.: 2 · 2-8°C
Löslichkeit: 2 O; · Insol H2O; sol organic solvents.
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow to Light orange
Wichte: 1.014 · 1.014
BRN: 1616463 · 1616463
InChI: 1S/C7H16S2Si/c1-10(2,3)7-8-5-4-6-9-7/h7H,4-6H2,1-3H3
InChIKey: BTTUMVHWIAXYPJ-UHFFFAOYSA-N
SMILES: C[Si](C)(C)C1SCCCS1
CAS Datenbank: 13411 · 13411-42-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 13
wgk: 3
tsca: No
ridadr: 3334
hs_code: 2934.99.9001
safety_code: 23-24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Trimethylsilyl-1,3-dithiane is the precursor of dithioketene acetals which are good substrates for both cationic and anionic cyclization processes; the anion reacts with unsaturated ketones and aldehydes to give vinyl dithioketene acetals that can be used as dienes or for the preparation of substituted α,β-unsaturated alkyl ketones; alkylation of the anion provides a general synthesis of acylsilanes. It participates the following reactions: Thioketene Acetals, Cationic and Anionic Cyclizations, Unsaturated Dithioketene Acetals, Acylsilanes, Multicomponent Linchpin Reactions, Formation of Bis(acylsilanes) etc.