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139177-63-2 molecular structure
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holmium(3+) ion tritrifluoromethanesulfonate

ChemBase ID: 147977
Molecular Formular: C3F9HoO9S3
Molecular Mass: 612.1376488
Monoisotopic Mass: 611.78639556
SMILES and InChIs

SMILES:
C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ho+3]
Canonical SMILES:
FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[Ho+3]
InChI:
InChI=1S/3CHF3O3S.Ho/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
InChIKey:
DBPDCYACEYLEMY-UHFFFAOYSA-K

Cite this record

CBID:147977 http://www.chembase.cn/molecule-147977.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
holmium(3+) ion tritrifluoromethanesulfonate
IUPAC Traditional name
holmium(3+) ion tritriflate
Synonyms
Holmium(III) triflate
Trifluoromethanesulfonic acid holmium(III) salt
Holmium(III) trifluoromethanesulfonate
Holmium(III) trifluoromethanesulfonate hydrate
三氟甲烷磺酸钬(III)
三氟甲磺酸 钬(III) 盐
三氟甲磺酸钬
三氟甲烷磺酸钬(III)
CAS Number
139177-63-2
MDL Number
MFCD00209590
PubChem SID
162242157
24866658
PubChem CID
22482917

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22482917 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -3.4301212  H Acceptors
H Donor LogD (pH = 5.5) -1.2283616 
LogD (pH = 7.4) -1.2283617  Log P 1.1480371 
Molar Refractivity 15.8602 cm3 Polarizability 7.460577 Å3
Polar Surface Area 57.2 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Powder 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
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
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
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
Linear Formula
(CF3SO3)3Ho expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 425699 external link
Application
A water-tolerant Lewis acid used in the Aldol reaction of silyl enol ethers with aldehydes.7
Catalyst for:
• Asymmetric alpha-amination1
• Diels-Alder reactions2
• Stereoselective cycloaddition reactions3
• Benzyl etherification4
• Acceleration of hydrogen-transfer reactions5
• Glycosylation6
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Used as a water tolerant Lewis Acid.Journal of Organic Chemistry,59, 3590-3596 (1994).
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PATENTS

PATENTS

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INTERNET

INTERNET

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