2-(Trifluoromethyl)oxirane

HCID 520769CAS 359-41-1

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Grundinformationen

Standard-SMILES: FC(F)(F)C1CO1
InChIKey: AQZRARFZZMGLHL-UHFFFAOYSA-N
Summenformel: C3H3F3O
Durchschnittliche Molmasse: 112,05 g/mol
Monoisotopische Masse: 112,01359938

Namen und Bezeichner

Bevorzugter Name: 2-(Trifluoromethyl)oxirane
IUPAC: 2-(trifluoromethyl)oxirane
Englischer Name: 1,1,1-Trifluoro-2,3-epoxypropane
Summenformel: C3H3F3O
Molmasse: 112.05

Namen und Synonyme

359-41-12-(Trifluoromethyl)oxiraneDTXSID50957318RefChem:462575DTXCID401385259609-196-81,1,1-Trifluoro-2,3-epoxypropane1,2-Epoxy-3,3,3-trifluoropropane3,3,3-Trifluoro-1,2-epoxypropane(trifluoromethyl)oxiraneOxirane, (trifluoromethyl)-MFCD00041506

Weitere Namen anzeigen

3,3,3-trifluoropropene oxideuoro-2,3-epoxypropaneTrifluoropropylene oxideOxirane, 2-(trifluoromethyl)-1,2-EPOXY-3,3,3-TRIFLUOROPROPA3,3,3-Tifluoro-1,2-epoxypropane3,3,3-Trifluoro-1,2-propenoxide

2-trifluoromethyloxiraneC3H3F3O3,3,3-Trifluoropropane epoxide2-trifluoromethyl-oxiranetrifluoro-1,2-epoxypropane1,1,1-trifluoroepoxypropane2-(Trifluoromethyl)oxirane #SCHEMBL151485

Datenbank-Bezeichner

CAS: 359-41-1
PubChem CID: 520769
DTXSID: DTXSID50957318
EC Number: 609-196-8
Nikkaji: J404.118F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 12,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 76,7

Physikochemische Eigenschaften

Siedepunkt: 38 °C · 38 °C
Dichte: 1 · 1,3 g/cm3
Brechungsindex: 1.2997 · 1.2997
Flammpunkt: -40 °C · -40°C
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Wichte: 1.3068 · 1.3068
Wasserlöslichkeit: Not miscible with water.
BRN: 103730 · 103730
InChI: InChI=1S/C3H3F3O/c4-3(5,6)2-1-7-2/h2H,1H2
InChIKey: AQZRARFZZMGLHL-UHFFFAOYSA-N
SMILES: O1CC1C(F)(F)F
CAS Datenbank: 359 · 359-41-1(CAS DataBase Reference)
NIST chemische Informationen: 3 · 3,3,3-Trifluoro-1,2-epoxypropane(359-41-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (90.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 11 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (90.9%)

Sicherheitsdaten

ridadr: 1993
hs_code: 29109000
risk_code: 11-20/21/22-36/37/38
hazard_code: F,T
hazard_note: Flammable/Toxic/Keep Cold
safety_code: 16-26-36-36/37-9
hazard_class: 3
packing_group: II

Chemie und Industrie

Anwendungen

Verwenden1,2-Epoxy-3,3,3-trifluoropropane is used for the synthesis of trifluorolactic acid. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.