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12158-74-6 molecular structure
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copper(2+) ion hydroxycopperylium phosphate

ChemBase ID: 145430
Molecular Formular: Cu2HO5P
Molecular Mass: 239.070701
Monoisotopic Mass: 237.81535476
SMILES and InChIs

SMILES:
O[Cu+].[O-]P(=O)([O-])[O-].[Cu+2]
Canonical SMILES:
[O-]P(=O)([O-])[O-].[Cu+]O.[Cu+2]
InChI:
InChI=1S/2Cu.H3O4P.H2O/c;;1-5(2,3)4;/h;;(H3,1,2,3,4);1H2/q2*+2;;/p-4
InChIKey:
WCMHCPWEQCWRSR-UHFFFAOYSA-J

Cite this record

CBID:145430 http://www.chembase.cn/molecule-145430.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
copper(2+) ion hydroxycopperylium phosphate
IUPAC Traditional name
copper(2+) ion hydroxycopperylium phosphate
Synonyms
Copper(II) hydroxide phosphate
碱式磷酸铜(II)
CAS Number
12158-74-6
EC Number
235-285-2
MDL Number
MFCD00075296
PubChem SID
24861249
162239636
PubChem CID
71311160

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
344400 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311160 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7961261  H Acceptors
H Donor LogD (pH = 5.5) -3.3916447 
LogD (pH = 7.4) -3.9718332  Log P -1.0201038 
Molar Refractivity 11.2868 cm3 Polarizability 5.564544 Å3
Polar Surface Area 86.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

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 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
97% expand Show data source
Linear Formula
Cu2(OH)PO4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 344400 external link
Packaging
100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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