CAS 1993-03-9 2-Fluorophenylboronic acid (HCID 2734354)

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Grundinformationen

CAS: 1993-03-9
Standard-SMILES: OB(O)c1ccccc1F
InChIKey: QCSLIRFWJPOENV-UHFFFAOYSA-N
Summenformel: C6H6BFO2
Durchschnittliche Molmasse: 139,92 g/mol
Monoisotopische Masse: 140,04448805

Namen und Bezeichner

Bevorzugter Name: 2-Fluorophenylboronic acid
IUPAC: (2-fluorophenyl)boronic acid
Englischer Name: 2-Fluorophenylboronic acid
Summenformel: C6H6BFO2
Molmasse: 139.92

Namen und Synonyme

2-Fluorophenylboronic acido-fluorophenylboronic acidRefChem:472651671-858-71993-03-9(2-fluorophenyl)boronic acid2-Fluorobenzeneboronic AcidBoronic acid, B-(2-fluorophenyl)-(2-fluorophenyl)boranediolMFCD00674013o-fluorobenzeneboronic acid2-fluorophenyl boronic acid

Weitere Namen anzeigen

2-Fluorophenylboronic2-Flurorphenylboronic acidAKOS BRN-01042-fluoroborateRARECHEM AH PB 02152-Fluorophenylboronio-FluorphenylborsaeureTavaborole Impurity 30uorobenzeneboronic acid

2-fluorobenzene boronic acid(2-fluorophenyl) boronic acid(2-Fluorophenyl)boronato(2-)34-03-7DTXSID30941836EN300-887182-FluorophenylboronicacidBORONIC ACID, (2-FLUOROPHENYL)-

Datenbank-Bezeichner

CAS: 1993-03-9
PubChem CID: 2734354
DTXSID: DTXSID30941836
ChEMBL: CHEMBL505047
UNII: 4E2YNT8MZR
EC Number: 671-858-7
Nikkaji: J1.088.588D

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 110

Physikochemische Eigenschaften

Schmelzpunkt: 101 · 101-110 °C (lit.)
Siedepunkt: 267.8 · 267.8±42.0 °C(Predicted)
Dichte: 1.24 · 1.24±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
pka: 8.32 · 8.32±0.58(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White to light yellow
BRN: 3030413 · 3030413
InChI: InChI=1S/C6H6BFO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H
InChIKey: QCSLIRFWJPOENV-UHFFFAOYSA-N
SMILES: B(C1=CC=CC=C1F)(O)O
CAS Datenbank: 1993 · 1993-03-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (90.9%): 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 11 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (90.9%)

Sicherheitsdaten

wgk: 3
hs_code: 29319090
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 37/39-26-36/37/39-27-24/25
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Fluorophenylboronic Acid, is used in Rh-catalyzed enantioselective addition reactions, and Rhodium and Palladium-catalyzed substitution reactions. It can also be used in the preparation of phenylboronic catechol esters as promising anion receptors for polymer electrolytes.