(But-3-yn-1-yloxy)(tert-butyl)dimethylsilane

HCID 4304567CAS 78592-82-2

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Grundinformationen

Standard-SMILES: C#CCCO[Si](C)(C)C(C)(C)C
InChIKey: NUZBJLXXTAOBPH-UHFFFAOYSA-N
Summenformel: C10H20OSi
Durchschnittliche Molmasse: 184,35 g/mol
Monoisotopische Masse: 184,12834179

Namen und Bezeichner

Bevorzugter Name: (But-3-yn-1-yloxy)(tert-butyl)dimethylsilane
IUPAC: tert-butyl-but-3-ynoxy-dimethylsilane
Englischer Name: 4-(t-Butyldimethylsiloxy)butyne
Summenformel: C10H20OSi
Molmasse: 184.35

Namen und Synonyme

(but-3-yn-1-yloxy)(tert-butyl)dimethylsilaneRefChem:405963628-251-778592-82-24-(tert-Butyldimethylsilyloxy)-1-butynetert-butyl-but-3-ynoxy-dimethylsilaneSilane,(3-butyn-1-yloxy)(1,1-dimethylethyl)dimethyl-4-(T-butyldimethylsiloxy)butyneMFCD034270464-(tert-butyldimethylsiloxy)butyne(but-3-ynyloxy)(tert-butyl)dimethylsilane1-(t-butyldimethylsilyloxy)-3-butyne

Weitere Namen anzeigen

DK404DK911DKSI096DKFELEX0092SALOR-INT L308641-1EA5-(T-BUTYLDIMETHYLSILOXY)BUTYNE

SCHEMBL73070orb3175817DTXSID00401750NUZBJLXXTAOBPH-UHFFFAOYSA-NDDA59282t-Butyl-But-3-Ynoxy-Dimethylsilane1-(t-butyldimethylsiloxy)-3-butyne4-(t-Butyldimethylsiloxy)-1-butyne

Datenbank-Bezeichner

CAS: 78592-82-2
PubChem CID: 4304567
DTXSID: DTXSID00401750
EC Number: 628-251-7
Nikkaji: J524.300I

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 12
Formalladung: 0
Komplexität: 180

Physikochemische Eigenschaften

Siedepunkt: 70 · 70-74 °C/10 mmHg (lit.)
Dichte: 0.893 g/mL · 0.893 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.43(lit.)
Flammpunkt: 137 °F · 137 °F
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Wichte: 0.893 · 0.893
InChI: 1S/C10H20OSi/c1-7-8-9-11-12(5,6)10(2,3)4/h1H,8-9H2,2-6H3
InChIKey: NUZBJLXXTAOBPH-UHFFFAOYSA-N
SMILES: CC(C)(C)[Si](C)(C)OCCC#C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

Sicherheitsdaten

wgk: 3
tsca: No
ridadr: UN 1993 3/PG 2
hs_code: 2931.90.9010
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: CORROSIVE
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-(tert-Butyldimethylsilyloxy)-1-butyne may be used in the synthesis of 1-(tert-butyldimethylsilyloxy)-3-pentyn-5-ol and 1-(tert-butyldimethylsilyloxy)-6,6-dimethyl-3-heptyn-5-ol.