Dimethylthexylsilyl chloride

HCID 144239CAS 67373-56-2

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Grundinformationen

Standard-SMILES: CC(C)C(C)(C)[Si](C)(C)Cl
InChIKey: KIGALSBMRYYLFJ-UHFFFAOYSA-N
Summenformel: C8H19ClSi
Durchschnittliche Molmasse: 178,77 g/mol
Monoisotopische Masse: 178,09445482

Namen und Bezeichner

Bevorzugter Name: Dimethylthexylsilyl chloride
IUPAC: chloro-(2,3-dimethylbutan-2-yl)-dimethylsilane
Englischer Name: DIMETHYLTHEXYLSILYL CHLORIDE
Summenformel: C8H19ClSi
Molmasse: 178.78

Namen und Synonyme

67373-56-2Dimethylthexylsilyl chlorideThexyldimethylchlorosilaneDTXSID70217729RefChem:134385DTXCID70140220KIGALSBMRYYLFJ-UHFFFAOYSA-NChloro(dimethyl)thexylsilanechloro(2,3-dimethylbutan-2-yl)dimethylsilanechloro-(2,3-dimethylbutan-2-yl)-dimethylsilaneThexyldimethylsilyl chlorideChlorodimethyl(1,1,2-trimethylpropyl)silane

Weitere Namen anzeigen

TDSCLChloro(dimethyl)thexylsilane 95%TDSCIDK359ThexyldimethylsilylchloridChlorothexyldimethylsilanen-diMethylhexylchlorosilane

MFCD00012175dimethylthexylsilylchlorideDimethyl-thexylchlorosilanetds-clDimethyl-(2,3-dimethyl-2-butyl)chlorosilaneSilane, chlorodimethyl(1,1,2-trimethylpropyl)-chlorodimethylthexylsilanethexyl-dimethylchlorosilane

Datenbank-Bezeichner

CAS: 67373-56-2
PubChem CID: 144239
DTXSID: DTXSID70217729
EC Number: 629-449-6
Nikkaji: J364.546K

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 116

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties29Si nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: 15 °C · 15 °C
Siedepunkt: 55 · 55-56 °C10 mm Hg(lit.)
Dichte: 0.909 g/mL · 0.909 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.449(lit.)
Flammpunkt: 125 °F · 125 °F
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: 2 Cl2 · sol in THF, DMF, CH2Cl2.
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wichte: 0.911 · 0.911
BRN: 3647960 · 3647960
InChI: 1S/C8H19ClSi/c1-7(2)8(3,4)10(5,6)9/h7H,1-6H3
InChIKey: KIGALSBMRYYLFJ-UHFFFAOYSA-N
SMILES: CC(C)C(C)(C)[Si](C)(C)Cl
CAS Datenbank: 67373 · 67373-56-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationSilane, chlorodimethyl(1,1,2-trimethylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

F: 10-21
wgk: 3
tsca: No
ridadr: UN 2986 8/PG 2
hs_code: 29319090
risk_code: 10-34-37
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenSilylating reagent for the protection of 1 and 2 alcohols and N-silylation of amines and amides; used in the preparation of thexyldimethylsilyl triflate; formation of α-silyl hydrazones; formylation of polyfluoroalkyl halides. Thexyldimethylsilyl chloride (TDS-Cl) was first introduced as a more easily prepared alternative to the more commonly used t-butyldimethylsilyl chloride for the protection of alcohols.

Darstellung · 1 Eintrag

synthetischeTo a mixture of dimethylchlorosilane (10 mL, 92 mmol) and AlCl3 (0.680 g, 5 mmol) at 25°Cwas added 2,3-dimethyl-2-butene (11 mL, 91 mmol). After stirring for 4 h at ambient temperature, the mixture was filtered and distilled to yield 15.2 g of TDS-Cl (93%).