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35895-69-3 molecular structure
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tetraethylazanium trifluoromethanesulfonate

ChemBase ID: 99175
Molecular Formular: C9H20F3NO3S
Molecular Mass: 279.3202096
Monoisotopic Mass: 279.11159917
SMILES and InChIs

SMILES:
[N+](CC)(CC)(CC)CC.S(=O)(=O)(C(F)(F)F)[O-]
Canonical SMILES:
FC(S(=O)(=O)[O-])(F)F.CC[N+](CC)(CC)CC
InChI:
InChI=1S/C8H20N.CHF3O3S/c1-5-9(6-2,7-3)8-4;2-1(3,4)8(5,6)7/h5-8H2,1-4H3;(H,5,6,7)/q+1;/p-1
InChIKey:
PUZYNDBTWXJXKN-UHFFFAOYSA-M

Cite this record

CBID:99175 http://www.chembase.cn/molecule-99175.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetraethylazanium trifluoromethanesulfonate
IUPAC Traditional name
tetraethylammonium triflate
Synonyms
Tetraethylammonium trifluoromethanesulphonate 98%
Trifluoromethanesulfonic acid tetraethylammonium salt
Tetraethylammonium trifluoromethanesulfonate
三氟甲基磺酸 四乙基铵盐
三氟甲基磺酸四乙基铵
CAS Number
35895-69-3
EC Number
252-781-4
MDL Number
MFCD00042586
Beilstein Number
4057452
PubChem SID
24888417
162085466
PubChem CID
2776566

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2776566 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.5449352  LogD (pH = 7.4) -2.5449352 
Log P -2.5449352  Molar Refractivity 54.8961 cm3
Polarizability 16.958946 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
acetonitrile: soluble0.1 g/mL, clear, colorless expand Show data source
Melting Point
161-163 °C expand Show data source
Storage Warning
Corrosive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (T) expand Show data source
≥99.0% (T) expand Show data source
Grade
electrochemical grade expand Show data source
puriss. expand Show data source
Impurities
≤2% water expand Show data source
Linear Formula
(C2H5)4N(CF3SO3) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 86651 external link
Other Notes
Nonoxidizing supporting electrolyte1
Packaging
5 g in glass bottle
Sigma Aldrich - 86653 external link
General description
Visit our Sensor Applications portal to learn more.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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