Propanedioic acid, 2-(2,4,6-trifluorophenyl)-, 1,3-diethyl ester

HCID 2782662

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Grundinformationen

CAS: 262609-07-4
Standard-SMILES: CCOC(=O)C(C(=O)OCC)c1c(F)cc(F)cc1F
InChIKey: VCCISIBKCNTCLR-UHFFFAOYSA-N
Summenformel: C13H13F3O4
Durchschnittliche Molmasse: 290,23 g/mol
Monoisotopische Masse: 290,07659356

Namen und Bezeichner

Bevorzugter Name: Propanedioic acid, 2-(2,4,6-trifluorophenyl)-, 1,3-diethyl ester
IUPAC: diethyl 2-(2,4,6-trifluorophenyl)propanedioate
Englischer Name: DIETHYL 2,4,6-TRIFLUOROPHENYL MALONATE
Summenformel: C13H13F3O4
Molmasse: 290.24

Namen und Synonyme

Propanedioic acid, 2-(2,4,6-trifluorophenyl)-, 1,3-diethyl esterRefChem:868950607-899-4262609-07-4Diethyl (2,4,6-trifluorophenyl)malonateDiethyl 2-(2,4,6-trifluorophenyl)malonateDiethyl 2,4,6-trifluorophenyl malonateDiethyl 2-(2,4,6-trifluorophenyl)propanedioateMFCD040392101,3-diethyl 2-(2,4,6-trifluorophenyl)propanedioate2-(2,4,6-Trifluoro-phenyl)-malonic acid diethyl esterSCHEMBL1477896

Weitere Namen anzeigen

2-(2,4,6-Trifluorophenyl)malonic acid diethyl esterDiethyl 2-(2,4,6-trifluorophenyl)propane-1,3-dioate2-(2,4,6-trifluorophenyl)propanedioic acid diethyl ester

DTXSID40382195VCCISIBKCNTCLR-UHFFFAOYSA-NDiethyl 2,4,6TrifluorophenylmalonateAKOS005254604Diethyl 2,4,6-trifluorophenylmalonatediethyl (2,4,6-trifluorophenyl)-malonateDB-067594Diethyl (2,4,6-trifluoro-phenyl)-malonate

Datenbank-Bezeichner

CAS: 262609-07-4
PubChem CID: 2782662
DTXSID: DTXSID40382195
EC Number: 607-899-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 52,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 7
Schwere Atome: 20
Formalladung: 0
Komplexität: 321

Physikochemische Eigenschaften

Schmelzpunkt: 46 · 46-49℃
CAS Datenbank: 262609 · 262609-07-4

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.