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13257-51-7 molecular structure
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mercury(2+) ion ditrifluoroacetate

ChemBase ID: 97726
Molecular Formular: C4F6HgO4
Molecular Mass: 426.6208192
Monoisotopic Mass: 427.9407208
SMILES and InChIs

SMILES:
[O-]C(=O)C(F)(F)F.[Hg+2].[O-]C(=O)C(F)(F)F
Canonical SMILES:
[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[Hg+2]
InChI:
InChI=1S/2C2HF3O2.Hg/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
InChIKey:
WMHOESUUCMEQMS-UHFFFAOYSA-L

Cite this record

CBID:97726 http://www.chembase.cn/molecule-97726.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
mercury(2+) ion ditrifluoroacetate
IUPAC Traditional name
mercury(2+) ion ditrifluoroacetate
mercury(2+) ditrifluoroacetate
Synonyms
Mercury(II) trifluoroacetate
Mercuric trifluoroacetate
Mercury(II) trifluoroacetate
三氟乙酸汞(II)
CAS Number
13257-51-7
EC Number
236-250-4
MDL Number
MFCD00013201
Beilstein Number
3633860
PubChem SID
162084289
PubChem CID
2723924

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2723924 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 0.9503416  H Acceptors
H Donor LogD (pH = 5.5) -2.5809014 
LogD (pH = 7.4) -2.6199632  Log P 0.90898293 
Molar Refractivity 24.491 cm3 Polarizability 5.106112 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Crystalline expand Show data source
Melting Point
167-169°C expand Show data source
167-173°C expand Show data source
Flash Point
none°C expand Show data source
Storage Warning
Hygroscopic expand Show data source
Very Toxic/Air Sensitive/Moisture Sensitive/Store under Argon expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
UN2025 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
II expand Show data source
Risk Statements
26/27/28-33-50/53 expand Show data source
Safety Statements
13-20-22-26-28-45-60-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Hazard statements
H300-H310-H330-H373-H400-H410 expand Show data source
GHS Precautionary statements
P260-P301+P310-P304+P340-P320-P330-P361-P405-P501A expand Show data source
Purity
98+% expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - PC4888 external link
Synthesis, 722 (1974): more reactive in alpha-acetoxylation of alkenes than lead(IV)acetate. Please enquire for other uses and references

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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