4-(Difluoromethyl)benzenemethanol
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Grundinformationen
- CAS
444915-77-9- Standard-SMILES
OCc1ccc(C(F)F)cc1- InChIKey
YDYFWZBWPUDNAQ-UHFFFAOYSA-N- Summenformel
- C8H8F2O
- Durchschnittliche Molmasse
- 158,14 g/mol
- Monoisotopische Masse
- 158,0543212
Namen und Bezeichner
- Bevorzugter Name
- 4-(Difluoromethyl)benzenemethanol
- IUPAC
- [4-(difluoromethyl)phenyl]methanol
- Englischer Name
- [4-(Difluoromethyl)phenyl]methanol, 4-(Hydroxymethyl)benzal fluoride
- Summenformel
- C8H8F2O
- Molmasse
- 158.15
Namen und Synonyme
444915-77-94-(difluoromethyl)benzyl alcohol4-(Difluoromethyl)benzenemethanolDTXSID601300352RefChem:515873DTXCID101730475813-818-5[4-(difluoromethyl)phenyl]methanol(4-(difluoromethyl)phenyl)methanolMFCD20488855[4-(Difluoromethyl)phenyl]methanol, 4-(Hydroxymethyl)benzal fluorideSCHEMBL472558
Weitere Namen anzeigen
[4-(Difluoromethyl)phenyl]methanol - [D92374]
SCHEMBL15018988[4-(diluoromethyl)phenyl]methanolCHEBI:188747CHWJOUNMAQJMNK-UHFFFAOYSA-NUSA91577Benzenemethanol, 4-(difluoromethyl)-AKOS017974769AT10625
Datenbank-Bezeichner
- CAS
444915-77-9- PubChem CID
- 57446323
- DTXSID
DTXSID601300352- ChEBI
CHEBI:188747- EC Number
- 813-818-5
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 109
Physikochemische Eigenschaften
- Siedepunkt
- 234.5 · 234.5±35.0 °C(Predicted)
- Dichte
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Aggregatzustand
- lumpy powder
- pka
- 14.08 · 14.08±0.10(Predicted)
- Farbe
- White
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (50%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2906290090
Chemie und Industrie
Anwendungen
Verwenden[4-(Difluoromethyl)phenyl]methanol is used as a reactant in the preparation of difluoromethylated arenes via palladium-catalyzed difluoromethylation of arylboronic acids with bromodifluoroacetate.
Zugehörige Reaktionen
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Notizen zur Verbindung
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