2-(4-(Trifluoromethyl)phenyl)ethan-1-ol

HCID 11275510

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Grundinformationen

CAS: 2968-93-6
Standard-SMILES: OCCc1ccc(C(F)(F)F)cc1
InChIKey: SXMYWTQEZRZKBK-UHFFFAOYSA-N
Summenformel: C9H9F3O
Durchschnittliche Molmasse: 190,16 g/mol
Monoisotopische Masse: 190,06054939

Namen und Bezeichner

Bevorzugter Name: 2-(4-(Trifluoromethyl)phenyl)ethan-1-ol
IUPAC: 2-[4-(trifluoromethyl)phenyl]ethanol
Englischer Name: 4-(Trifluoromethyl)phenethyl alcohol
Summenformel: C9H9F3O
Molmasse: 190.16

Namen und Synonyme

2-[4-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-OL2-(4-(Trifluoromethyl)phenyl)ethan-1-olRefChem:456608626-283-62968-93-62-[4-(trifluoromethyl)phenyl]ethanol2-(4-(Trifluoromethyl)phenyl)ethanol4-(Trifluoromethyl)phenethyl alcoholBenzeneethanol, 4-(trifluoromethyl)-MFCD064113314-(Trifluoromethyl)-benzeneethanol2-(4-Trifluoromethylphenyl)ethanol

Weitere Namen anzeigen

4-(Trifluoromethyl)phenethyl alcohol 97%2-(4-(Trifluoromethyl)phenyl)ethanol , 4-(Trifluoromethyl)phenethyl alcohol

SCHEMBL833275SCHEMBL1046741DTXSID204608442-(4-trifluoromethyl-phenyl)ethanol2-(4-Trifluoromethylphenyl)-ethanolCK2446AKOS0113961382-[4-(tri-fluoromethyl)phenyl]ethanol

Datenbank-Bezeichner

CAS: 2968-93-6
PubChem CID: 11275510
DTXSID: DTXSID20460844
EC Number: 626-283-6
Nikkaji: J1.800.064D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 147

Physikochemische Eigenschaften

Siedepunkt: 218.2 · 218.2±35.0 °C(Predicted)
Dichte: 1.253 g/mL · 1.253 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.463(lit.)
Flammpunkt: 52 °C · 52 °C
storage temp.: 2 · 2-8°C
pka: 14.69 · 14.69±0.10(Predicted)
InChI: 1S/C9H9F3O/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4,13H,5-6H2
InChIKey: SXMYWTQEZRZKBK-UHFFFAOYSA-N
SMILES: OCCc1ccc(cc1)C(F)(F)F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 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%)；Eye Irrit. 2A (100%)

Sicherheitsdaten

wgk: 2
hs_code: 2906290090
risk_code: 22-36
hazard_code: Xn
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2

Chemie und Industrie

Anwendungen

Verwenden4-(Trifluoromethyl)-benzeneethanol is an intermediate used to prepare substituted phenylpropanoic acid derivatives as selective human PPARα activators.It is also used to synthesize PI3Kγ-kinase inhibitors.