2,2,2-Trifluoroethyl butanoate

HCID 193290CAS 371-27-7

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Grundinformationen

Standard-SMILES: CCCC(=O)OCC(F)(F)F
InChIKey: DEXWRCYOMLUJRF-UHFFFAOYSA-N
Summenformel: C6H9F3O2
Durchschnittliche Molmasse: 170,13 g/mol
Monoisotopische Masse: 170,05546401

Namen und Bezeichner

Bevorzugter Name: 2,2,2-Trifluoroethyl butanoate
IUPAC: 2,2,2-trifluoroethyl butanoate
Englischer Name: 2,2,2-Trifluoroethyl butyrate
Summenformel: C6H9F3O2
Molmasse: 170.13

Namen und Synonyme

2,2,2-Trifluoroethyl butyrate371-27-72,2,2-trifluoroethyl butanoate2-TFBDTXSID00190591Butanoic acid, 2,2,2-trifluoroethyl esterRefChem:440522DTXCID40113082627-716-12,2,2-TrifluoroethylbutyrateMFCD00077609Butyric acid, TFE

Weitere Namen anzeigen

2,2,2-TRIFLUOROETHYL N-BUTYRATE2,2,2-Trifluoroethylbutyrate98%2,2,2-Trifluoroethyl butyrate 98%2,2,2-Trifluoroethyl Butyrate >Butyric Acid 2,2,2-Trifluoroethyl EsterN-BUTYRIC ACID 2,2,2-TRIFLUOROETHYL ESTER1-[10-(1-pyridin-1-iumyl)decyl]pyridin-1-ium diiodide

Butyric Acid 2,2,2-Trifluoroethyl EsterSCHEMBL67892AKOS006221407B2144CS-0199111D88900trifluoroethyl butyratetrifluoroethyl butanoate

Datenbank-Bezeichner

CAS: 371-27-7
PubChem CID: 193290
DTXSID: DTXSID00190591
EC Number: 627-716-1
Nikkaji: J474.279F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 4
Schwere Atome: 11
Formalladung: 0
Komplexität: 130

Physikochemische Eigenschaften

Siedepunkt: 113 °C747 · 113 °C747 mm Hg(lit.)
Dichte: 1.127 g/mL · 1.127 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.347(lit.)
Flammpunkt: 75 °F · 75 °F
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wichte: 1.127 · 1.127
BRN: 1769212 · 1769212
CAS Datenbank: 371 · 371-27-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H225 (97.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 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.