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HCID 2760596Erstellt: 27. Oktober 2026

1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethan-1-one

4-ethylacylbenzeneboronic acidolester · 4-Acetylphenylboronic acid, pinacol ester · 4-Acetylbenzeneboronic acid pinacol ester · 2-(4-Acetylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane · 1-[4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-one · 1-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]ETHANONE · Ethanone,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%

https://huagongshe.com/de/chemical/2760596

Molekülstruktur von 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethan-1-one

Identifikatoren & physikalische Daten

CAS No.	171364-81-1
Summenformel	C14H19BO3
Durchschnittliche Molmasse	246,11 g/mol
Monoisotopische Masse	246,1427246 g/mol
SMILES	CC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey	BATKIZWNRQGSKE-UHFFFAOYSA-N
PubChem CID	2760596
ChEMBL	CHEMBL5270509
EC No.	675-102-7
DTXSID	DTXSID50375250

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	35,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	18
Formalladung	0
Komplexität	314
Schmelzpunkt	63-65°C
Siedepunkt	356.6±25.0 °C(Predicted)
Dichte	1.04±0.1 g/cm3(Predicted)
Lagerbedingungen	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 & Vorschriften

GHS-Einstufung	WarningH302 (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 exposureRespiratory 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.
Hazard Classes and Categories	Acute Tox. 4 (50%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
Wassergefährdungsklasse (WGK)	WGK 3
Zollcode	29319090
Lagerklasse	11 - Combustible Solids

1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethan-1-one

CAS No.

171364-81-1

Summenformel

C14H19BO3

Durchschnittliche Molmasse

246,11 g/mol

Monoisotopische Masse

246,1427246 g/mol

SMILES

CC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

InChIKey

BATKIZWNRQGSKE-UHFFFAOYSA-N

PubChem CID

2760596

ChEMBL

CHEMBL5270509

EC No.

675-102-7

DTXSID

DTXSID50375250

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)

35,5

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

314

Schmelzpunkt

63-65°C

Siedepunkt

356.6±25.0 °C(Predicted)

Dichte

1.04±0.1 g/cm3(Predicted)

Lagerbedingungen

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 & Vorschriften

GHS-Einstufung

WarningH302 (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 exposureRespiratory 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.

Hazard Classes and Categories

Acute Tox. 4 (50%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)

Wassergefährdungsklasse (WGK)

WGK 3

Zollcode

29319090

Lagerklasse

11 - Combustible Solids