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16570-28-8 molecular structure
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dicopper(2+) ion hydrate (phosphonatooxy)phosphonate

ChemBase ID: 150627
Molecular Formular: Cu2H2O8P2
Molecular Mass: 319.050602
Monoisotopic Mass: 317.78168528
SMILES and InChIs

SMILES:
O.[O-]P(=O)([O-])OP(=O)([O-])[O-].[Cu+2].[Cu+2]
Canonical SMILES:
[O-]P(=O)(OP(=O)([O-])[O-])[O-].O.[Cu+2].[Cu+2]
InChI:
InChI=1S/2Cu.H4O7P2.H2O/c;;1-8(2,3)7-9(4,5)6;/h;;(H2,1,2,3)(H2,4,5,6);1H2/q2*+2;;/p-4
InChIKey:
PXZSJEBZWADSIY-UHFFFAOYSA-J

Cite this record

CBID:150627 http://www.chembase.cn/molecule-150627.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dicopper(2+) ion hydrate (phosphonatooxy)phosphonate
IUPAC Traditional name
dicopper(2+) ion hydrate diphosphate
Synonyms
Cupric pyrophosphate hydrate
Copper(II) pyrophosphate hydrate
焦磷酸铜(II) 水合物
CAS Number
16570-28-8
EC Number
239-250-2
MDL Number
MFCD00150225
PubChem SID
162244788
24861273
PubChem CID
16212263

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
344699 external link Add to cart Please log in.
Data Source Data ID
PubChem 16212263 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7026764  H Acceptors
H Donor LogD (pH = 5.5) -5.934867 
LogD (pH = 7.4) -6.883358  Log P -1.4419023 
Molar Refractivity 21.038 cm3 Polarizability 10.301113 Å3
Polar Surface Area 135.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: insoluble expand Show data source
Apperance
powder and chunks 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
26-37/39 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
Compostion
Degree of hydration, ~3 expand Show data source
Empirical Formula (Hill Notation)
Cu2P2O7 · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 344699 external link
Packaging
2.5 kg in poly drum
500 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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