Ethyl 1-phenyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate

HCID 2780269

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Grundinformationen

CAS: 112055-34-2
Standard-SMILES: CCOC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIKey: ZJGRCTISRZQYRY-UHFFFAOYSA-N
Summenformel: C13H11F3N2O2
Durchschnittliche Molmasse: 284,23 g/mol
Monoisotopische Masse: 284,07726225

Namen und Bezeichner

Bevorzugter Name: Ethyl 1-phenyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylate
IUPAC: ethyl 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylate
Englischer Name: Ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate
Summenformel: C13H11F3N2O2
Molmasse: 284.23

Namen und Synonyme

112055-34-2ethyl 1-phenyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylateEthyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate1-Phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl esterethyl 1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxylateMFCD00068138ethyl 5-(trifluoromethyl)-1-phenyl-1h-pyrazole-4-carboxylateC13H11F3N2O2SCHEMBL1814204DTXSID20920655AKOS009165360PS-7201

Weitere Namen anzeigen

BUTTPARK 46\18-19Ethyl 2-phenyl-3-(trifluoromethyl)pyrazole-4-Ethyl2-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carBoxylate1H-Pyrazole-4-carboxylic acid, 1-phenyl-5-(trifluoroMethyl)-, ethyl ester

AC-26700DB-074794CS-0308722E87390EN300-128999F008316Ethyl 1-phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxylateEthyl1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate

Datenbank-Bezeichner

CAS: 112055-34-2
PubChem CID: 2780269
DTXSID: DTXSID20920655
EC Number: 802-475-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 44,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 4
Schwere Atome: 20
Formalladung: 0
Komplexität: 343

Physikochemische Eigenschaften

Siedepunkt: 122 °C · 122 °C
Dichte: 1.3 · 1.30±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -5.86 · -5.86±0.10(Predicted)
CAS Datenbank: 112055 · 112055-34-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.