Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate

HCID 9673CAS 360-54-3

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Grundinformationen

Standard-SMILES: COC(=O)C(C(F)(F)F)C(F)(F)F
InChIKey: JGGBVFLRNNDHCM-UHFFFAOYSA-N
Summenformel: C5H4F6O2
Durchschnittliche Molmasse: 210,07 g/mol
Monoisotopische Masse: 210,01154834

Namen und Bezeichner

Bevorzugter Name: Methyl 2-(Trifluoromethyl)-3,3,3-trifluoropropionate
IUPAC: methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Englischer Name: METHYL 2-(TRIFLUOROMETHYL)-3,3,3-TRIFLUOROPROPIONATE
Summenformel: C5H4F6O2
Molmasse: 210.07

Namen und Synonyme

Methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoatemethyl 2-(trifluoromethyl)-3,3,3-trifluoropropionateRefChem:813786808-139-6360-54-3Propanoic acid, 3,3,3-trifluoro-2-(trifluoromethyl)-, methyl esterMethyl 3,3,3-trifluoro-2-(trifluoromethyl)propionateMethyl hexafluoroisobutyrateMFCD00054663ISOBUTYRIC ACID, HEXAFLUORO-, METHYL ESTERBRN 1787515methyl 2-(trifluoromethyl)-3,3,3-trifluoropropanoate

Weitere Namen anzeigen

methylhexafluoroisobutyratehexafluoro-isobutyricacimethylester2-(Methoxycarbonyl)-2H-perfluoropropaneMethyl2H-hexafluoro-2-methylpropanoate98%Methyl 2H-perfluoro-2-methylpropanoate 98%Methyl 2-(trifluoromethyl)-3,3,3-trifluoro-Methyl 2H-hexafluoro-2-methylpropanoate 98%

Methyl 2H-hexafluoro-2-methylpropanoate4-02-00-00856 (Beilstein Handbook Reference)SCHEMBL3140450DTXSID0073168Methyl bis(trifluoromethyl)acetateSBB094286AKOS016015328Methyl 2,2-Bis(trifluoromethyl)acetate

Datenbank-Bezeichner

CAS: 360-54-3
PubChem CID: 9673
DTXSID: DTXSID0073168
EC Number: 808-139-6
Nikkaji: J26.245E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 8
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 178

Physikochemische Eigenschaften

Siedepunkt: 90 · 90-91°C
Dichte: 1.604 · 1.604
Brechungsindex: 1.269 · 1.269
Flammpunkt: 60 °C · 60°C
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
CAS Datenbank: 360 · 360-54-3
EPA chemische Informationen: 3 · Propanoic acid, 3,3,3-trifluoro-2-(trifluoromethyl)-, methyl ester (360-54-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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.