2,4-Difluorophenylboronic acid

HCID 2734334CAS 144025-03-6

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Grundinformationen

Standard-SMILES: OB(O)c1ccc(F)cc1F
InChIKey: QQLRSCZSKQTFGY-UHFFFAOYSA-N
Summenformel: C6H5BF2O2
Durchschnittliche Molmasse: 157,91 g/mol
Monoisotopische Masse: 158,03506624

Namen und Bezeichner

Bevorzugter Name: 2,4-Difluorophenylboronic acid
IUPAC: (2,4-difluorophenyl)boronic acid
Englischer Name: 2,4-Difluorophenylboronic acid
Summenformel: C6H5BF2O2
Molmasse: 157.91

Namen und Synonyme

2,4-Difluorophenylboronic acid144025-03-6DTXSID50370225RefChem:82429DTXCID40321261(2,4-difluorophenyl)boronic acid2,4-Difluorobenzeneboronic Acid2,4-DifluorophenylboronicacidMFCD01318998BORONIC ACID, B-(2,4-DIFLUOROPHENYL)-2,4-Difluorophenyl-boronic acid2,4-difluoro-phenylboronic acid

Weitere Namen anzeigen

Difluorophenylboronic acidB-(2,4-Difluorophenyl)boronic acidAKOS BRN-0089CAS:144025-03-62,4-difluoroborateRARECHEM AH PB 01682,4-Difluorophenylbo2,4-Difluorophenylboric acid2,4-difluorophenylboroic acid2,4-FLUOROBENZENE BORONIC ACID

2,4-di-fluoro-phenylboronic acid2,4-Difluoro-phenyl-boronic acidAC-5375PB40679EN300-117676Z381540906(2,4-Difluorophenyl)BoranediolBoronic acid, (2,4-difluorophenyl)-

Datenbank-Bezeichner

CAS: 144025-03-6
PubChem CID: 2734334
DTXSID: DTXSID50370225
EC Number: 604-390-9
Nikkaji: J1.349.724I

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 134

Physikochemische Eigenschaften

Schmelzpunkt: 247 · 247-250 °C (lit.)
Siedepunkt: 251 · 251.0±50.0 °C(Predicted)
Dichte: 1.35 · 1.35±0.1 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit: Chloroform (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly)
pka: 8.47 · 8.47±0.58(Predicted)
Aggregatzustand: Powder
Farbe: Off-white to light beige or yellow
BRN: 8616257 · 8616257
InChI: InChI=1S/C6H5BF2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
InChIKey: QQLRSCZSKQTFGY-UHFFFAOYSA-N
SMILES: B(C1=CC=C(F)C=C1F)(O)O
CAS Datenbank: 144025 · 144025-03-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29163990
risk_code: 36/37/38-22
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 37/39-26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,4-Difluorophenylboronic Acid is used as a reagent in suzuki-miyaura coupling reactions such as in the synthesis of enantiomerically pure 3,3''-bis-arylated BINOL derivatives. Also used in the synthesis of highly efficient phospherescent iridium (III) complexes which are used for light-emiiting diodes.