p-[4-(Trifluormethyl)phenoxy]phenol

p-(4-(Trifluoromethyl)phenoxy)phenol

HCID 170230

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Grundinformationen

CAS: 39634-42-9
Standard-SMILES: Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIKey: FJFSSESWAFPCSU-UHFFFAOYSA-N
Summenformel: C13H9F3O2
Durchschnittliche Molmasse: 254,2 g/mol
Monoisotopische Masse: 254,05546401

Namen und Bezeichner

Bevorzugter Name: p-(4-(Trifluoromethyl)phenoxy)phenol
IUPAC: 4-[4-(trifluoromethyl)phenoxy]phenol
Lokaler Name: p-[4-(Trifluormethyl)phenoxy]phenol
Englischer Name: 4-[(4-Trifluoromethyl)phenoxy]phenol
Summenformel: C13H9F3O2
Molmasse: 254.2

Namen und Synonyme

4-[4-(Trifluoromethyl)phenoxy]phenol4-(4-(trifluoromethyl)phenoxy)phenolPhenol, 4-[4-(trifluoromethyl)phenoxy]-p-(4-(Trifluoromethyl)phenoxy)phenolEINECS 254-549-8Phenol, 4-(4-(trifluoromethyl)phenoxy)-P-[4-(trifluoromethyl)phenoxy]phenolRefChem:857930254-549-839634-42-94-[(4-Trifluoromethyl)Phenoxy]PhenolMFCD00192527

Weitere Namen anzeigen

4-(4-(Trifluoromethyl)LABOTEST-BB LT00453427p-(p-Trifluoromethylphenoxy)phenol4-[4-(trifluoromethyl)phenoxy]-pheno4-(4-(TRIFLUOROMETHYL)PHENOXY)-PHENOL, 9 8%

C13H9F3O2SCHEMBL1765673SCHEMBL8684058CHEMBL4279352DTXSID60681914-(4-trifluoromethylPhenoxy)phenol4-(4-trifluoromethylPhenoxy)-phenolSBB057834

Datenbank-Bezeichner

CAS: 39634-42-9
PubChem CID: 170230
DTXSID: DTXSID6068191
ChEMBL: CHEMBL4279352
EC Number: 254-549-8
Nikkaji: J32.009I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,3
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 18
Formalladung: 0
Komplexität: 251

Physikochemische Eigenschaften

Schmelzpunkt: 49 · 49-54 °C(lit.)
Siedepunkt: 319.4 · 319.4±42.0 °C(Predicted)
Dichte: 1.324 · 1.324±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 9.82 · 9.82±0.15(Predicted)
Aggregatzustand: solid
BRN: 2055876 · 2055876
InChI: 1S/C13H9F3O2/c14-13(15,16)9-1-5-11(6-2-9)18-12-7-3-10(17)4-8-12/h1-8,17H
InChIKey: FJFSSESWAFPCSU-UHFFFAOYSA-N
SMILES: Oc1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
EPA chemische Informationen: 4 · Phenol, 4-[4-(trifluoromethyl)phenoxy]- (39634-42-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 39 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.