2,4-Bis(trifluoromethyl)phenylboronic acid
Grundinformationen
- CAS
153254-09-2- Standard-SMILES
OB(O)c1ccc(C(F)(F)F)cc1C(F)(F)F- InChIKey
WLYPBMBWKYALCG-UHFFFAOYSA-N- Summenformel
- C8H5BF6O2
- Durchschnittliche Molmasse
- 257,93 g/mol
- Monoisotopische Masse
- 258,02867912
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Bis(trifluoromethyl)phenylboronic acid
- IUPAC
- [2,4-bis(trifluoromethyl)phenyl]boronic acid
- Englischer Name
- 2,4-Bis(trifluoromethyl)phenylboronic acid
- Summenformel
- C8H5BF6O2
- Molmasse
- 257.93
Namen und Synonyme
2,4-Bis(trifluoromethyl)phenylboronic acid153254-09-2[2,4-bis(trifluoromethyl)phenyl]boronic AcidDTXSID20382198(2,4-bis(trifluoromethyl)phenyl)boronic acidRefChem:443090DTXCID40333223604-892-82,4-Bis(trifluoromethyl)benzeneboronic AcidMFCD016313492,4-bis(trifluoromethyl) phenylboronic acid2,4-di-(trifluoromethyl)phenyl boronic acid
Weitere Namen anzeigen
AKOS BRN-01432,4-Bis(trifLRARECHEM AH PB 00282,4-Ditrifluoromethylphenylbornia acid2,4-BIS(TRIFLUOROMETHYL)PHENYLBORONIC A&2,4-Bis(trifluoromethyl)phenylboronicaci2.4-di(trifluoroMethyl)phenylboronic acid2,4-Bis(trifloroMethyl)phenylboronic acid
B30222,4-Bis(trifluoromethyl)phenylboronicacid2,4-Bis(Trifluoromethyl)PhenylBORONIC ACID, [2,4-BIS(TRIFLUOROMETHYL)PHENYL]-FT-0609952SCHEMBL496773SCHEMBL29349652CS-M1548
Datenbank-Bezeichner
- CAS
153254-09-2- PubChem CID
- 2782667
- DTXSID
DTXSID20382198- EC Number
- 604-892-8
- Nikkaji
- J3.002.194K
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 264
Physikochemische Eigenschaften
- Schmelzpunkt
- 148 · 148-150
- Siedepunkt
- 245.4 · 245.4±50.0 °C(Predicted)
- Dichte
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 7.4 · 7.40±0.58(Predicted)
- Farbe
- White to Light yellow
- InChI
- InChI=1S/C8H5BF6O2/c10-7(11,12)4-1-2-6(9(16)17)5(3-4)8(13,14)15/h1-3,16-17H
- InChIKey
- WLYPBMBWKYALCG-UHFFFAOYSA-N
- SMILES
- B(C1=CC=C(C(F)(F)F)C=C1C(F)(F)F)(O)O
- CAS Datenbank
- 153254 · 153254-09-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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 8 reports by companies from 4 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
- 29319090
- risk_code
- 36/37/38
- hazard_code
- C,Xi
- hazard_note
- Corrosive
- safety_code
- 26-36/37/39-24/25
- hazard_class
- IRRITANT
- Speicherklasse
- 13 - Non Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenReactant for preparation of:Pyrrolo[2,3-d]pyrimidin-4-ones as corticotropin-releasing factor 1 receptor antagonists with a carbonyl-based hydrogen bonding acceptorBiaryl pyrazole carboxamides as sodium channel blockers for treatment of neuropathic painBiphenylketones as dual modulators of inflammation and bone loss(Biphenylyl)pyrazolecarboxamides and their voltage-gated sodium channel Nav1.7 blocking structure-activity relationshipN-hydroxyalkyl biphenylsulfonamides as inhibitors of bone resorption1,3,6,8a-tetraazaacenaphthylene derivatives and study of their activity as corticotropin-releasing factor-1 antagonistsBlue luminescent iridium phenylpyridine complexes
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