2-(Trifluoromethoxy)phenol

HCID 2777299CAS 32858-93-8

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Grundinformationen

Standard-SMILES: Oc1ccccc1OC(F)(F)F
InChIKey: GQWMNVOVQZIPJC-UHFFFAOYSA-N
Summenformel: C7H5F3O2
Durchschnittliche Molmasse: 178,11 g/mol
Monoisotopische Masse: 178,02416406

Namen und Bezeichner

Bevorzugter Name: 2-(Trifluoromethoxy)phenol
IUPAC: 2-(trifluoromethoxy)phenol
Englischer Name: 2-Trifluoromethoxyphenol
Summenformel: C7H5F3O2
Molmasse: 178.11

Namen und Synonyme

2-(Trifluoromethoxy)phenol32858-93-8GQWMNVOVQZIPJC-UHFFFAOYSA-DTXSID70380462RefChem:84898DTXCID60331488642-553-6InChI=1/C7H5F3O2/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4,11H2-(Trifluorormethoxy)phenol2-trifluoromethoxyphenol2-Hydroxyphenyl Trifluoromethyl EtherMFCD00236324

Weitere Namen anzeigen

2-TrifluoromethoxyphTRIFLUORMETHOXYPHENOL2-(Trifluoromethoxy)Phen2-trifluoroMethoxylphenol2-(Trifluoromethoxy)pheno2-(Trifluoromethoxy)phenol98%

O-TRIFLUOROMETHOXYPHENOL2-trifluoromethoxy phenoltrifluoromethoxyphenol2-(trifluormethoxy)phenolPhenol, 2-(trifluoromethoxy)-Trifluoromethoxy phenolo-trifluoromethoxy phenol2-trifluoromethoxy-phenol

Datenbank-Bezeichner

CAS: 32858-93-8
PubChem CID: 2777299
DTXSID: DTXSID70380462
EC Number: 642-553-6
Nikkaji: J1.490.418B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 146

Physikochemische Eigenschaften

Siedepunkt: 69 · 69-71°C 60mm
Dichte: 1 · 1,332 g/cm3
Brechungsindex: 1.443 · 1.443
Flammpunkt: 47 °C · 47°C
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: clear liquid
pka: 8.22 · 8.22±0.30(Predicted)
Farbe: Colorless to Almost colorless
BRN: 1869013 · 1869013
InChI: InChI=1S/C7H5F3O2/c8-7(9,10)12-6-4-2-1-3-5(6)11/h1-4,11H
InChIKey: GQWMNVOVQZIPJC-UHFFFAOYSA-N
SMILES: C1(O)=CC=CC=C1OC(F)(F)F
CAS Datenbank: 32858 · 32858-93-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (22.2%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (22.2%)

Sicherheitsdaten

wgk: WGK 3
ridadr: 2927
hs_code: 29095000
risk_code: 10-20/21/22-34-43-36-25-36/38
hazard_code: Xi,T
safety_code: 26-36/37/39-45-36/37
hazard_class: IRRITANT
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 3Eye Irrit. 2Skin Sens. 1