2-(4-(Trifluoromethoxy)phenoxy)acetic acid

HCID 697705

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Grundinformationen

CAS: 72220-50-9
Standard-SMILES: O=C(O)COc1ccc(OC(F)(F)F)cc1
InChIKey: QHSBEEUEIRDHCD-UHFFFAOYSA-N
Summenformel: C9H7F3O4
Durchschnittliche Molmasse: 236,14 g/mol
Monoisotopische Masse: 236,02964319

Namen und Bezeichner

Bevorzugter Name: 2-(4-(Trifluoromethoxy)phenoxy)acetic acid
IUPAC: 2-[4-(trifluoromethoxy)phenoxy]acetic acid
Englischer Name: 4-(Trifluoromethoxy)phenoxyacetic acid
Summenformel: C9H7F3O4
Molmasse: 236.14

Namen und Synonyme

72220-50-92-(4-(Trifluoromethoxy)phenoxy)acetic acid4-(Trifluoromethoxy)phenoxyacetic acid2-[4-(trifluoromethoxy)phenoxy]acetic acid[4-(trifluoromethoxy)phenoxy]acetic acidMFCD00052352(4-trifluoromethoxy-phenoxy)-acetic acidAcetic acid, [4-(trifluoromethoxy)phenoxy]-Acetic acid, 2-[4-(trifluoromethoxy)phenoxy]-Maybridge1_006105Acetic acid, [4-(trifluoAE-641/13516020

Weitere Namen anzeigen

BUTTPARK 29\08-63AKOS BBS-00002887P-trifluoromethoxyphenoxyacetic acid4-(Trifluoromethoxy)phenoxyaceticacid97%4-(Trifluoromethoxy)phenoxyacetic acid 97%

SCHEMBL656941HMS558N11DTXSID603513234-trifluoromethoxyphenoxyacetic acidALBB-035243SBB040056STK727412AKOS000271180

Datenbank-Bezeichner

CAS: 72220-50-9
PubChem CID: 697705
DTXSID: DTXSID60351323
EC Number: 673-129-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 55,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 4
Schwere Atome: 16
Formalladung: 0
Komplexität: 233

Physikochemische Eigenschaften

Schmelzpunkt: 84 · 84-86°C
Siedepunkt: 282.2 · 282.2±35.0 °C(Predicted)
Dichte: 1.431 · 1.431±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 3.05 · 3.05±0.10(Predicted)
Aggregatzustand: powder
Farbe: White
CAS Datenbank: 72220 · 72220-50-9(CAS DataBase Reference)

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 5 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.