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88504-81-8 molecular structure
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tetrabutylazanium O-(fluorosulfonyl)oxidanidolate

ChemBase ID: 156724
Molecular Formular: C16H36FNO3S
Molecular Mass: 341.5253432
Monoisotopic Mass: 341.23999324
SMILES and InChIs

SMILES:
CCCC[N+](CCCC)(CCCC)CCCC.[O-]S(=O)(=O)F
Canonical SMILES:
[O-]S(=O)(=O)F.CCCC[N+](CCCC)(CCCC)CCCC
InChI:
InChI=1S/C16H36N.FHO3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H,2,3,4)/q+1;/p-1
InChIKey:
OGVMFPTXLRFNIQ-UHFFFAOYSA-M

Cite this record

CBID:156724 http://www.chembase.cn/molecule-156724.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrabutylazanium O-(fluorosulfonyl)oxidanidolate
IUPAC Traditional name
tetrabutylammonium O-(fluorosulfonyl)oxidanidolate
Synonyms
Tetrabutylammonium fluorosulfate
氟硫酸四丁基铵
CAS Number
88504-81-8
MDL Number
MFCD01863762
PubChem SID
162250861
24850303
PubChem CID
13414498

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
17045 external link Add to cart Please log in.
Data Source Data ID
PubChem 13414498 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3234289  LogD (pH = 7.4) 1.3234289 
Log P 1.3234289  Molar Refractivity 91.3961 cm3
Polarizability 31.734425 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 12  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
182-185 °C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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 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% expand Show data source
Empirical Formula (Hill Notation)
C16H36FNO3S expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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