Grundinformationen
- Standard-SMILES
CCc1ccc(-c2ccc(B(O)O)c(F)c2)cc1- InChIKey
XNSDNLHVCQYSOC-UHFFFAOYSA-N- Summenformel
- C14H14BFO2
- Durchschnittliche Molmasse
- 244,07 g/mol
- Monoisotopische Masse
- 244,107088
Namen und Bezeichner
- Bevorzugter Name
- 4'-Ethyl-3-fluorobiphenyl-4-boronic acid
- IUPAC
- [4-(4-ethylphenyl)-2-fluorophenyl]boronic acid
- Englischer Name
- 4''-ETHYL-3-FLUOROBIPHENYL-4-BORONIC ACID
- Summenformel
- C14H14BFO2
- Molmasse
- 244.07
Namen und Synonyme
900796-46-54'-ETHYL-3-FLUOROBIPHENYL-4-BORONIC ACID(4'-Ethyl-3-fluoro-[1,1'-biphenyl]-4-yl)boronic acid4''-ETHYL-3-FLUOROBIPHENYL-4-BORONIC ACID[4-(4-ethylphenyl)-2-fluorophenyl]boronic acidB-(4'-Ethyl-3-fluoro[1,1'-biphenyl]-4-yl)boronic acidstarbld00003074'-Ethyl-3-fluoro-biphenyl-4-boronic acidSCHEMBL1533781DTXSID30695024XNSDNLHVCQYSOC-UHFFFAOYSA-NMFCD10687183
Weitere Namen anzeigen
4'-Ethyl-3-fluorbiphenyl-4-boronic acid3-Fluoro-4 '- Ethyl-4-biphenylboronic acid4-(4-ethylphenyl)-2-fluorophenyl]boronicaci((4'-ethyl-3-fluoro-[1,1'-biphenyl]-4-yl)boronic3-Fluoro-4'-ethyl[1,1']biphenyl-4-yl-boronic acid3-fluoro-4'-ethyl-(1,1'-biphenyl-4-yl)-boronic acid
4'-ethyl-3-fluoro-4-biphenylboronic acid3-fluoro-4'-ethylbiphenyl-4-ylboronic acid(4'-Ethyl-3-fluoro[1,1'-biphenyl]-4-yl)boronic acidB-(4 inverted exclamation marka-Ethyl-3-fluoro[1,1 inverted exclamation marka-biphenyl]-4-yl)boronic acid
Datenbank-Bezeichner
- CAS
900796-46-5- PubChem CID
- 53402575
- DTXSID
DTXSID30695024- Nikkaji
- J2.469.325B
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 254
Physikochemische Eigenschaften
- Siedepunkt
- 401 · 401.0±55.0 °C(Predicted)
- Dichte
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- Dampfdruck
- 0 · 0-0Pa at 20-50℃
- Aggregatzustand
- Solid:crystalline
- pka
- 8.4 · 8.40±0.58(Predicted)
- LogP
- 4.3 at · 4.3 at 25℃ and pH3.5
- Oberflächenspannung
- 68.3 mN/m · 68.3mN/m at 21.53mg/L and 20℃
Sicherheit und Regulatorisches
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H373
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