Flurothyl

HCID 9528CAS 333-36-8
Substructure searchFind similar structures

Basic information

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 properties

XLogP
2.3
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
11

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 1 item

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 · 3 items

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

Downstream products

Suppliers50 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]

Additional notes

DefinitionChEBI: Flurotyl is an ether.

Related reactions

2 records
New reaction record

Linked notes

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