Grundinformationen
- Standard-SMILES
FC(F)(F)COCC(F)(F)F- InChIKey
KGPPDNUWZNWPSI-UHFFFAOYSA-N- Summenformel
- C4H4F6O
- Durchschnittliche Molmasse
- 182,06 g/mol
- Monoisotopische Masse
- 182,01663407
Überblick
Flurotyl is an ether.
Namen und Bezeichner
- Bevorzugter Name
- Flurothyl
- IUPAC
- 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane
- Englischer Name
- Bis(2,2,2-trifluoroethyl) ether
- Summenformel
- C4H4F6O
- Molmasse
- 182.06
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
333-36-8- PubChem CID
- 9528
- DTXSID
DTXSID5046516- ChEMBL
CHEMBL477874- ChEBI
CHEBI:134824- UNII
- 9Z467FG2YK
- EC Number
- 626-793-9
- Nikkaji
- J5.680D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 9,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 98,7
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 25 °C · 25°C
- Siedepunkt
- 62 · 62-63 °C (lit.)
- Dichte
- 1.404 g/mL · 1.404 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.300(lit.)
- Flammpunkt
- 35 °F · 35 °F
- storage temp.
- Flammables area
- Löslichkeit
- 125 mg/mL · DMSO : ≥ 125 mg/mL (686.59 mM)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Wichte
- 1.41 · 1.41
- Merck
- 14 · 14,4201
- BRN
- 1811927 · 1811927
- Henry's Law Constant
- 9.2 · 9.2×10-3 mol/(m3Pa) at 25℃, Fukuchi et al. (2002)
- InChI
- InChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2
- InChIKey
- KGPPDNUWZNWPSI-UHFFFAOYSA-N
- SMILES
- O(CC(F)(F)F)CC(F)(F)F
- CAS Datenbank
- 333 · 333-36-8(CAS DataBase Reference)
- EPA chemische Informationen
- -356 mff2 · HFE-356mff2 (333-36-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3271 3/PG 2
- hs_code
- 29091990
- RTECS-Nr.
- KN3675000
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi,T
- hazard_note
- Flammable/Toxic/Convulsant
- safety_code
- 16-26-36
- hazard_class
- 3.1
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that act in the brain stem or spinal cord to produce tonic or clonic convulsions, often by removing normal inhibitory tone. They were formerly used to stimulate respiration or as antidotes to barbiturate overdose. They are now most commonly used as experimental tools.
Anwendungen
Verwenden5HT agonist
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…