p-[4-(Trifluormethyl)phenoxy]phenol

4-(4-(Trifluoromethyl) · LABOTEST-BB LT00453427 · p-(p-Trifluoromethylphenoxy)phenol · p-[4-(trifluoromethyl)phenoxy]phenol · 4-[4-(trifluoromethyl)phenoxy]-pheno · 4-[(4-Trifluoromethyl)phenoxy]phenol · Phenol, 4-[4-(trifluoromethyl)phenoxy]- · 4-(4-(TRIFLUOROMETHYL)PHENOXY)-PHENOL, 9 8%

https://huagongshe.com/de/chemical/170230

Molekülstruktur von p-[4-(Trifluormethyl)phenoxy]phenol

Identifikatoren & physikalische Daten

CAS No.	39634-42-9
Summenformel	C13H9F3O2
Durchschnittliche Molmasse	254,2 g/mol
Monoisotopische Masse	254,05546401 g/mol
SMILES	Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIKey	FJFSSESWAFPCSU-UHFFFAOYSA-N
PubChem CID	170230
ChEMBL	CHEMBL4279352
EC No.	254-549-8
DTXSID	DTXSID6068191
Lokaler Name	p-[4-(Trifluormethyl)phenoxy]phenol

Chemische & physikalische Eigenschaften

XLogP	4,3
Polarare Oberfläche (TPSA)	29,5
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	2
Schwere Atome	18
Formalladung	0
Komplexität	251
Schmelzpunkt	49-54 °C(lit.)
Siedepunkt	319.4±42.0 °C(Predicted)
Dichte	1.324±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
pKa (Säurekonstante)	9.82±0.15(Predicted)
Aggregatzustand	solid
BRN	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	Phenol, 4-[4-(trifluoromethyl)phenoxy]- (39634-42-9)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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 exposureRespiratory 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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Eye Irrit. 2Skin Irrit. 2STOT SE 3