3-(Trimethylsilyl)phenylboronic acid

AKOS BRN-0601 · 3-TRIMETHYLSILYLBENZENEBORONIC ACID · 3-(TRIMETHYLSILYL)PHENYLBORONIC ACID · m-(Trimethylsilyl)phenylboronic acid · 3-(trimethylsilyl)phenylboronic acid 98% · B-[3-(Trimethylsilyl)phenyl]boronic acid · 3- (trimethyl silicon) phenylboronic acid · Boronic acid, B-[3-(trimethylsilyl)phenyl]-

https://huagongshe.com/de/chemical/4577181

Molekülstruktur von 3-(Trimethylsilyl)phenylboronic acid

Identifikatoren & physikalische Daten

CAS No.	177171-16-3
Summenformel	C9H15BO2Si
Durchschnittliche Molmasse	194,11 g/mol
Monoisotopische Masse	194,09343665 g/mol
SMILES	C[Si](C)(C)c1cccc(B(O)O)c1
InChIKey	REMKRZLFPLDTKR-UHFFFAOYSA-N
PubChem CID	4577181
EC No.	804-982-9
DTXSID	DTXSID30404456

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	40,5
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	13
Formalladung	0
Komplexität	167
Schmelzpunkt	145-150 °C (lit.)
Siedepunkt	290℃
Dichte	1.01
Flammpunkt	129℃
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit	soluble in Methanol
Aggregatzustand	powder to crystal
pKa (Säurekonstante)	8.73±0.10(Predicted)
Farbe	White to Almost white
InChI	InChI=1S/C9H15BO2Si/c1-13(2,3)9-6-4-5-8(7-9)10(11)12/h4-7,11-12H,1-3H3
InChIKey	REMKRZLFPLDTKR-UHFFFAOYSA-N
SMILES	B(C1=CC=CC([Si](C)(C)C)=C1)(O)O
CAS Datenbank	177171-16-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (33.3%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29319090
Lagerklasse	13 - Non Combustible Solids

Anwendungen & Verwendung

Verwenden

3-(Trimethylsilyl)phenylboronic acid can be used:To prepare a 2-phenylpyridine ligand, which is used in the synthesis of Ir(III) complex applicable in the OLEDs.As an intermediate in the preparation of biphenyl derived amino acids.As a starting material for the synthesis of triphenylene-based electron transport materials.