4'-Fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)(1,1'-biphenyl)-2-methanol

HCID 53363828

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Grundinformationen

CAS: 875548-97-3
Standard-SMILES: COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CO
InChIKey: XSZIJSCGSTXKKI-UHFFFAOYSA-N
Summenformel: C18H18F4O2
Durchschnittliche Molmasse: 342,3 g/mol
Monoisotopische Masse: 342,12429246

Namen und Bezeichner

Bevorzugter Name: 4'-Fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)(1,1'-biphenyl)-2-methanol
IUPAC: [2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol
Englischer Name: 4'-Fluoro-2'-methoxy-5'-isopropyl-4-trifluoromethyl-1,1'-biphenyl-2-methanol
Summenformel: C18H18F4O2
Molmasse: 342.33

Namen und Synonyme

875548-97-34'-Fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)(1,1'-biphenyl)-2-methanol4'-Fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)[1,1'-biphenyl]-2-methanolRefChem:283421(4'-FLUORO-5'-ISOPROPYL-2'-METHOXY-4-TRIFLUOROMETHYL-BIPHENYL-2-YL)METHANOL{2-[4-fluoro-2-methoxy-5-(propan-2-yl)phenyl]-5-(trifluoromethyl)phenyl}methanolMFCD162941844'-FLUORO-2'-METHOXY-5'-ISOPROPYL-4-TRIFLUOROMETHYL-1,1'-BIPHENYL-2-METHANOL[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methanol(4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)-[1,1'-biphenyl]-2-yl)methanol[4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)-[1,1'-biphenyl]-2-yl]methanol4'-Fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)-[1,1'-biphenyl]-2-methanol

Weitere Namen anzeigen

Anacetrapib Intermediate 54'-FLUORO-2'-METHOXY-5'-ISOPROPYL-4-TRIFLUOROMETHYL-1,1'-BIP...4’-Fluoro-5’-isopropyl-2’-methoxy-4-(trifluoromethyl)-2-biphenylyl]methanol(4'-fluoro-5'-isopropyl-2'-Methoxy-4-(trifluoroMethyl)biphenyl-2-yl)Methanol[1,1'-Biphenyl]-2-Methanol, 4'-fluoro-2'-Methoxy-5'-(1-Methylethyl)-4-(trifluoroMethyl)-

ETM5V37JXJSCHEMBL531582SCHEMBL29786762C18H18F4O2DTXSID301128094AKOS025403895PB15219AC-31128

Datenbank-Bezeichner

CAS: 875548-97-3
PubChem CID: 53363828
DTXSID: DTXSID301128094
UNII: ETM5V37JXJ
EC Number: 635-850-7
Nikkaji: J2.940.837H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,7
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 4
Schwere Atome: 24
Formalladung: 0
Komplexität: 399

Physikochemische Eigenschaften

Siedepunkt: 364.5 · 364.5±42.0 °C(Predicted)
Dichte: 1.221 · 1.221±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.: Store at Room Tem.
pka: 14.01 · 14.01±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P264+P265, P273, P280, P305+P354+P338, P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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.