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333-36-8 molecular structure
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1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane

ChemBase ID: 95174
Molecular Formular: C4H4F6O
Molecular Mass: 182.0643792
Monoisotopic Mass: 182.01663407
SMILES and InChIs

SMILES:
O(CC(F)(F)F)CC(F)(F)F
Canonical SMILES:
FC(COCC(F)(F)F)(F)F
InChI:
InChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2
InChIKey:
KGPPDNUWZNWPSI-UHFFFAOYSA-N

Cite this record

CBID:95174 http://www.chembase.cn/molecule-95174.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane
IUPAC Traditional name
flurothyl
Synonyms
Bis(2,2,2-trifluoroethyl) ether 99%
2,2,2-Trifluoroethyl ether
Flurothyl
Bis(2,2,2-trifluoroethyl) ether
2,2,2-三氟乙基醚
氟替尔
2,2,2-三氟乙醚
CAS Number
333-36-8
MDL Number
MFCD00010604
Beilstein Number
1811927
PubChem SID
162081824
24857279
PubChem CID
9528

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 9528 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0347419  LogD (pH = 7.4) 2.0347419 
Log P 2.0347419  Molar Refractivity 23.9127 cm3
Polarizability 8.742263 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
62-63 °C(lit.) expand Show data source
64°C expand Show data source
Flash Point
1 °C expand Show data source
1°C expand Show data source
33.8 °F expand Show data source
Density
1.404 expand Show data source
1.404 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.3 expand Show data source
n20/D 1.300(lit.) expand Show data source
Storage Warning
Flammable/Toxic/Convulsant expand Show data source
RTECS
KN3675000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
3271 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-36/37/38 expand Show data source
Safety Statements
16-26-36 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 3271 3/PG 2 expand Show data source
Purity
99% expand Show data source
Linear Formula
(CF3CH2)2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 287571 external link
Packaging
5 g in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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