4-Fluoro-2-formylphenylboronic Acid (contains varying amounts of Anhydride)
Grundinformationen
- CAS
825644-26-6- Standard-SMILES
O=Cc1cc(F)ccc1B(O)O- InChIKey
QWUBOCQWTPCPNE-UHFFFAOYSA-N- Summenformel
- C7H6BFO3
- Durchschnittliche Molmasse
- 167,93 g/mol
- Monoisotopische Masse
- 168,0394024
Namen und Bezeichner
- Bevorzugter Name
- 4-Fluoro-2-formylphenylboronic Acid (contains varying amounts of Anhydride)
- IUPAC
- (4-fluoro-2-formylphenyl)boronic acid
- Englischer Name
- (4-Fluoro-2-formylphenyl)boronic acid
- Summenformel
- C7H6BFO3
- Molmasse
- 167.93
Namen und Synonyme
4-Fluoro-2-formylphenylboronic Acid (contains varying amounts of Anhydride)RefChem:523094842-599-9825644-26-6(4-Fluoro-2-formylphenyl)boronic acid4-Fluoro-2-formylphenylboronic acid4-Fluoro-2-formylbenzeneboronic acidMFCD10697426Boronic acid, (4-fluoro-2-formylphenyl)-4-fluoro-2-formylphenyl boronic acid(4-Fluoro-2-formylphenyl)boronicacidFluoro-2-formylphenyl)boronic acid
Weitere Namen anzeigen
Boronic acid, B-(4-fluoro-2-formylphenyl)-
AKOS006302504AB59580(4-fluoro-2-formyl-phenyl)boronic acidDS-16707F1260A51027EN300-73594184-Fluoro-2-formylphenylboronic acid (~90%)
Datenbank-Bezeichner
- CAS
825644-26-6- PubChem CID
- 25185241
- DTXSID
DTXSID50648976- EC Number
- 842-599-9
- Nikkaji
- J2.684.437A
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 165
Physikochemische Eigenschaften
- Schmelzpunkt
- 123 · 123-125 °C
- Siedepunkt
- 341.9 · 341.9±52.0 °C(Predicted)
- Dichte
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Löslichkeit
- Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 8.32 · 8.32±0.53(Predicted)
- Farbe
- White to Pale Yellow
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%);Eye Irrit. 2 (100%)
Sicherheitsdaten
- hs_code
- 2931900090
Chemie und Industrie
Anwendungen
Verwendensuzuki reaction
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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