Grundinformationen
- CAS
349-58-6- Standard-SMILES
Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
ODSXJQYJADZFJX-UHFFFAOYSA-N- Summenformel
- C8H4F6O
- Durchschnittliche Molmasse
- 230,11 g/mol
- Monoisotopische Masse
- 230,01663372
Namen und Bezeichner
- Bevorzugter Name
- 3,5-Bis(trifluoromethyl)phenol
- IUPAC
- 3,5-bis(trifluoromethyl)phenol
- Lokaler Name
- α,α,α,α',α',α'-Hexafluor-3,5-xylenol
- Englischer Name
- 3,5-Bis(trifluoromethyl)phenol
- Summenformel
- C8H4F6O
- Molmasse
- 230.11
Namen und Synonyme
3,5-Bis(trifluoromethyl)phenol349-58-63,5-di(Trifluoromethyl)phenolUF8V4P6RSUalpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-xylenolODSXJQYJADZFJX-UHFFFAOYSA-NSC-88299DTXSID60188454NSC 882993,5-Xylenol, aplha,aplha,aplha,aplha',aplha',aplha'-hexafluoro-RefChem:91389DTXCID90110945
Weitere Namen anzeigen
MBT-OHTIMTEC-BB SBB0065993,5-Bis(trifluoromethy3,5-Bis(trifluoromethyl)phenol98%3,5-Bis(trifluoromethyl)phenol >3,5-Bis(trifluoromethyl)phenol,97%
InChI=1/C8H4F6O/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15HODSXJQYJADZFJX-UHFFFAOYSA-NPhenol, 3,5-bis(trifluoromethyl)-3,5-ditrifluoromethylphenolMFCD00000386EINECS 206-488-3KG-6553,5-bis(trifluoromethyl)-phenol
Datenbank-Bezeichner
- CAS
349-58-6- PubChem CID
- 67680
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 198
Physikochemische Eigenschaften
- Schmelzpunkt
- 20 · 20-21 °C(lit.)
- Siedepunkt
- 97 °C50 · 97 °C50 mm Hg(lit.)
- Dichte
- 1.511 g/mL · 1.511 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.415(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 7.96 · 7.96±0.10(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow to Light orange
- Wichte
- 1.511 · 1.511
- BRN
- 2123670 · 2123670
- InChI
- 1S/C8H4F6O/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H
- InChIKey
- ODSXJQYJADZFJX-UHFFFAOYSA-N
- SMILES
- Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F
- CAS Datenbank
- 349 · 349-58-6(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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 48 reports by companies from 8 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.9%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29081990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden3,5-Bis(trifluoromethyl)phenol (BTMP) has been used as hydrogen donor in synergistic extraction of aluminium (III) and gallium (III) with 2,4-pentanedione in heptane.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
24
Notizen zur Verbindung
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