1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethan-1-one
Grundinformationen
- CAS
171364-81-1- Standard-SMILES
CC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1- InChIKey
BATKIZWNRQGSKE-UHFFFAOYSA-N- Summenformel
- C14H19BO3
- Durchschnittliche Molmasse
- 246,11 g/mol
- Monoisotopische Masse
- 246,1427246
Namen und Bezeichner
- Bevorzugter Name
- 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethan-1-one
- IUPAC
- 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
- Englischer Name
- 4-Acetylphenylboronic acid, pinacol ester
- Summenformel
- C14H19BO3
- Molmasse
- 246.11
Namen und Synonyme
171364-81-1DTXSID503752501-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethan-1-one1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-oneRefChem:1054254DTXCID203262791-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanone4-Acetylphenylboronic acid, pinacol ester4-Acetylphenylboronic acid pinacol esterMFCD05863922BATKIZWNRQGSKE-UHFFFAOYSA-N
Weitere Namen anzeigen
4-ethylacylbenzeneboronic acidolester4-Acetylbenzeneboronic acid pinacol ester2-(4-Acetylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1-[4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-oneEthanone,1-[4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone ,97%
(4-ACETYLPHENYL)BORONIC ACID PINACOL ESTERSCHEMBL476844CHEMBL5270509AKOS015912100AS-2655SY063775CS-0155101EN300-1706238
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 35,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 314
Physikochemische Eigenschaften
- Schmelzpunkt
- 63 · 63-65°C
- Siedepunkt
- 356.6 · 356.6±25.0 °C(Predicted)
- Dichte
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Crystalline Powder
- Farbe
- White
- InChI
- 1S/C14H19BO3/c1-10(16)11-6-8-12(9-7-11)15-17-13(2,3)14(4,5)18-15/h6-9H,1-5H3
- InChIKey
- BATKIZWNRQGSKE-UHFFFAOYSA-N
- SMILES
- CC(=O)c1ccc(cc1)B2OC(C)(C)C(C)(C)O2
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 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 CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 29319090
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
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