(2R)-2-(trifluoromethyl)oxirane

HCID 7016923CAS 143142-90-9

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Grundinformationen

Standard-SMILES: FC(F)(F)[C@H]1CO1
InChIKey: AQZRARFZZMGLHL-UWTATZPHSA-N
Summenformel: C3H3F3O
Durchschnittliche Molmasse: 112,05 g/mol
Monoisotopische Masse: 112,0135992

Namen und Bezeichner

Bevorzugter Name: (2R)-2-(trifluoromethyl)oxirane
IUPAC: (2R)-2-(trifluoromethyl)oxirane
Englischer Name: R-(+)-2-Trifluoromethyloxirane
Summenformel: C3H3F3O
Molmasse: 112.05

Namen und Synonyme

143142-90-9(2R)-2-(trifluoromethyl)oxiraneRefChem:68841604-331-7(R)-2-(trifluoromethyl)oxirane(R)-(+)-3,3,3-Trifluoro-1,2-epoxypropaneMFCD08276876R-(+)-2-TRIFLUOROMETHYLOXIRANE, 97R-(+)-3,3,3-Trifluoro-1,2-epoxypropaneC3H3F3O(2R)-(+)-3,3,3-Trifluoro-1,2-propenoxider-trifluoromethyloxirane

Weitere Namen anzeigen

R-(+)-2-Trifluoromethyloxirane(2R)-2-(Trifluoromethyl)oxirane (ee)Oxirane, 2-(trifluoromethyl)-, (2R)-(2R)-2-(Trifluoromethyl)oxirane, (2R)-1,2-Epoxy-3,3,3-trifluoropropane

SCHEMBL309609(R)-2-trifluoromethyl-oxiraneDTXSID401303893AKOS032958222AC-37976AS-54996EN300-200927W11990

Datenbank-Bezeichner

CAS: 143142-90-9
PubChem CID: 7016923
DTXSID: DTXSID401303893
EC Number: 604-331-7
Nikkaji: J1.744.380A

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

Physikochemische Eigenschaften

Siedepunkt: 25 · 25-32 °C
Dichte: 1.294 g/mL · 1.294 g/mL at 25 °C
Brechungsindex: 20 · n20/D <1.300
Flammpunkt: -15 °F · -15 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
Farbe: Clear
InChI: InChI=1S/C3H3F3O/c4-3(5,6)2-1-7-2/h2H,1H2/t2-/m1/s1
InChIKey: AQZRARFZZMGLHL-UWTATZPHSA-N
SMILES: O1C[C@@H]1C(F)(F)F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H224 (97.7%): Extremely flammable liquid and vapor [Danger Flammable liquids]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.4%): 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 44 reports by companies from 6 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.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 1 (97.7%)；Skin Irrit. 2 (11.4%)；Eye Irrit. 2 (11.4%)；STOT SE 3 (11.4%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1993 3/PG 1
hs_code: 2910900090
risk_code: 12
hazard_code: F+
safety_code: 3
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 1

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(R)-(+)-3,3,3-Trifluoro-1,2-epoxypropane can be used as a substrate to synthesize: Substituted trifluoro amino propanols, which are found to be potent inhibitors of cholesteryl ester transfer protein. (2R) Trifluoro-(methoxybenzyloxy)-propanol (chiral glycol) by reacting with 4-methoxybenzyl alcohol in the presence of NaH. Chiral glycol intermediate is further utilized for the preparation of trifluoromethyl glycol carbamates as potential monoacylglycerol lipase (MAGL) inhibitors.