Flurothyl
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Basic information
- CAS
333-36-8- Standard SMILES
FC(F)(F)COCC(F)(F)F- InChIKey
KGPPDNUWZNWPSI-UHFFFAOYSA-N- Molecular formula
- C4H4F6O
- Average molar mass
- 182.06 g/mol
- Monoisotopic mass
- 182.01663407
Overview
Flurotyl is an ether.
Names & identifiers
- Preferred name
- Flurothyl
- IUPAC
- 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane
- English name
- Bis(2,2,2-trifluoroethyl) ether
- Molecular formula
- C4H4F6O
- Molecular weight
- 182.06
Names & synonyms
Flurothyl333-36-8Bis(2,2,2-trifluoroethyl) etherFluorothylFlurotylIndoklonHexafluorodiethyl ether1,1,1-Trifluoro-2-(2,2,2-trifluoroethoxy)ethaneFlurotiloFlurotylumDTXSID5046516SK&F 6539
Show more names
HFE2,2,2-TRIFLUOROETHYL ETHERSF6539SKL232Idoklonskf6539Indiklon
2-(2,2,2-Trifluoroethoxy)-1,1,1-trifluoroethaneNSC-7601279Z467FG2YKEthane, 1,1'-oxybis(2,2,2-trifluoro-SK&F-6539DTXCID3026516Ethane, 1,1'-oxybis[2,2,2-trifluoro-Ethane, 1,1'-oxybis(2,2,2-trifluoro)-
Database identifiers
- CAS
333-36-8- PubChem CID
- 9528
- DTXSID
DTXSID5046516- ChEMBL
CHEMBL477874- ChEBI
CHEBI:134824- UNII
- 9Z467FG2YK
- EC Number
- 626-793-9
- Nikkaji
- J5.680D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 98.7
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesPhase diagram
Melting Point122.5-123
Collision Cross Section136.5 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 25 °C · 25°C
- Boiling point
- 62 · 62-63 °C (lit.)
- Density
- 1.404 g/mL · 1.404 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.300(lit.)
- Flash point
- 35 °F · 35 °F
- storage temp.
- Flammables area
- solubility
- 125 mg/mL · DMSO : ≥ 125 mg/mL (686.59 mM)
- form
- clear liquid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves
- wgk
- 3
- rtecs
- KN3675000
- ridadr
- UN 3271 3/PG 2
- hs_code
- 29091990
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi,T
- hazard_note
- Flammable/Toxic/Convulsant
- safety_code
- 16-26-36
- hazard_class
- 3.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
Chemistry & industry
Pharmacology
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.
Applications
UsesBis(2,2,2-trifluoroethyl) ether was used to diminish self-discharge of Li-S cells having both low- and high-sulfur-loading sulfur cathodes.
UsesBis(2,2,2-trifluoroethyl) Ether is Prophylactic and/or therapeutic agent for Alzheimer''s disease.
Uses5HT agonist
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: Flurotyl is an ether.
Related reactions
2 records
Compound notes
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