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HCID 5708413Erstellt: 26. Oktober 2026

4,4,5,5-tetramethyl-2-((E)-2-phenylethenyl)-1,3,2-dioxaborolane

(E)-4,4,5,5-tetramethyl-2-styryl-1,3,2-dioxaborolane · trans-2-Phenylvinylboronic acid pinacol ester · E-Styrylboronic acid pinacol ester · BETA-STYRYLBORONIC ACID PINACOL ESTER · TRANS-STYRYLBORONIC ACID, PINACOL ESTER · trans-2-Styreneboronic acid pinacol ester · trans-^b-Styrylboronic acid pinacol ester, 99% · [(E)-2-Phenylvinyl]boronic acid, pinacol ester

https://huagongshe.com/de/chemical/5708413

Molekülstruktur von 4,4,5,5-tetramethyl-2-((E)-2-phenylethenyl)-1,3,2-dioxaborolane

Identifikatoren & physikalische Daten

CAS No.78782-27-1
SummenformelC14H19BO2
Durchschnittliche Molmasse230,11 g/mol
Monoisotopische Masse230,14781025 g/mol
SMILESCC1(C)OB(/C=C/c2ccccc2)OC1(C)C
InChIKeyARAINKADEARZLZ-ZHACJKMWSA-N
PubChem CID5708413
ChEMBLCHEMBL2315711
EC No.641-148-1
DTXSIDDTXSID701382361

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)18,5
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen2
Schwere Atome17
Formalladung0
Komplexität275
Schmelzpunkt27-33 °C(lit.)
Siedepunkt128°C/4mm
Dichte0.99±0.1 g/cm3(Predicted)
Brechungsindex1.5290
Flammpunkt>230 °F
LagerbedingungenInert atmosphere,Store in freezer, under -20°C
AggregatzustandLiquid
FarbeClear colorless to pale yellow
BRN8617179
InChIInChI=1S/C14H19BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h5-11H,1-4H3/b11-10+
InChIKeyARAINKADEARZLZ-ZHACJKMWSA-N
SMILESO1C(C)(C)C(C)(C)OB1/C=C/C1=CC=CC=C1
CAS Datenbank83947-56-2(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not Classified
Hazard Classes and CategoriesAcute Tox. 4 (50%)Not Classified
Wassergefährdungsklasse (WGK)3
Zollcode29310099
Lagerklasse10 - Combustible liquids

Anwendungen & Verwendung

Verwenden

Reactant for:Oxidative coupling reactions catalyzed by arenerutheniumCycloaddition reactionsPreparation of allyl vinyl ethers via Cu-catalyzed coupling with alcoholsPreparation of 5-vinyl-3-pyridinecarbonitriles as PKCθ inhibitorsDiastereoselective addition to zincated hydrazones and stereospecific trapping of boron/zinc bimetallic intermediates by carbon electrophilesRegioselective and stereoselective Pd-catalyzed chelate-controlled intermolecular oxidative Heck reactions