3-(Trimethylsilyl)phenylboronic acid

HCID 4577181

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Grundinformationen

CAS: 177171-16-3
Standard-SMILES: C[Si](C)(C)c1cccc(B(O)O)c1
InChIKey: REMKRZLFPLDTKR-UHFFFAOYSA-N
Summenformel: C9H15BO2Si
Durchschnittliche Molmasse: 194,11 g/mol
Monoisotopische Masse: 194,09343665

Namen und Bezeichner

Bevorzugter Name: 3-(Trimethylsilyl)phenylboronic acid
IUPAC: (3-trimethylsilylphenyl)boronic acid
Englischer Name: 3-(TRIMETHYLSILYL)PHENYLBORONIC ACID
Summenformel: C9H15BO2Si
Molmasse: 194.11

Namen und Synonyme

177171-16-33-(Trimethylsilyl)phenylboronic acidDTXSID30404456RefChem:92756DTXCID50355310804-982-9(3-(Trimethylsilyl)phenyl)boronic acid3-Trimethylsilylphenylboronic acid(3-trimethylsilylphenyl)boronic AcidMFCD03093884Boronic acid, [3-(trimethylsilyl)phenyl]-Boronic acid, B-[3-(trimethylsilyl)phenyl]-

Weitere Namen anzeigen

AKOS BRN-06013-TRIMETHYLSILYLBENZENEBORONIC ACIDm-(Trimethylsilyl)phenylboronic acid3-(trimethylsilyl)phenylboronic acid 98%B-[3-(Trimethylsilyl)phenyl]boronic acid3- (trimethyl silicon) phenylboronic acid3-Trimethylsilylphenylboronic acid - [T5628]3-(Trimethylsilyl)phenylboronic acid >=95.0%

3-Trimethylsilyl phenyl boronic acid[3-(trimethylsilyl)phenyl]boronic acid3-trimethylsilyl-phenylboronic acid(3-(Trimethylsilyl)phenyl)boronicacids200003-(Trimethylsilyl)benzeneboronic AcidFT-0643715SCHEMBL646948

Datenbank-Bezeichner

CAS: 177171-16-3
PubChem CID: 4577181
DTXSID: DTXSID30404456
EC Number: 804-982-9
Nikkaji: J2.545.533I

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 167

Physikochemische Eigenschaften

Schmelzpunkt: 145 · 145-150 °C (lit.)
Siedepunkt: 290 ℃ · 290℃
Dichte: 1.01 · 1.01
Flammpunkt: 129 ℃ · 129℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 8.73 · 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 · 177171-16-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H302 (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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Sicherheitsdaten

wgk: 3
hs_code: 29319090
Speicherklasse: 13 - Non Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-(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.