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15593-49-4 molecular structure
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tetrapotassium phosphonatooxy phosphate

ChemBase ID: 137988
Molecular Formular: K4O8P2
Molecular Mass: 346.335922
Monoisotopic Mass: 345.76166694
SMILES and InChIs

SMILES:
[O-]P(=O)([O-])OOP(=O)([O-])[O-].[K+].[K+].[K+].[K+]
Canonical SMILES:
[O-]P(=O)(OOP(=O)([O-])[O-])[O-].[K+].[K+].[K+].[K+]
InChI:
InChI=1S/4K.H4O8P2/c;;;;1-9(2,3)7-8-10(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4
InChIKey:
YVDPOVXIRVBNAL-UHFFFAOYSA-J

Cite this record

CBID:137988 http://www.chembase.cn/molecule-137988.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetrapotassium phosphonatooxy phosphate
IUPAC Traditional name
tetrapotassium peroxydiphosphate
Synonyms
Potassium peroxydiphosphate
过氧焦磷酸钾
CAS Number
15593-49-4
EC Number
239-665-9
MDL Number
MFCD00192415
PubChem SID
162232247
PubChem CID
9863034

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
424366 external link Add to cart Please log in.
Data Source Data ID
PubChem 9863034 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 0.036792483  H Acceptors
H Donor LogD (pH = 5.5) -6.528285 
LogD (pH = 7.4) -9.342908  Log P -1.2907994 
Molar Refractivity 22.3882 cm3 Polarizability 11.129088 Å3
Polar Surface Area 144.84 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Oxidising Oxidising (O) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
1479 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
5.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
8-23/24/25-34 expand Show data source
Safety Statements
17-26-36/37/39-45 expand Show data source
GHS Pictograms
GHS03 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H272-H301-H311-H314-H331 expand Show data source
GHS Precautionary statements
P220-P261-P280-P301 + P310-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1479 5.1/PG 2 expand Show data source
Grade
technical grade expand Show data source
Impurities
15% K2HPO4 expand Show data source
5% KF expand Show data source
Linear Formula
O2[P(O)(OK)2]2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 424366 external link
Application
Initiator for the aqueous polymerization of methacrylamide1 and was also employed in a study of the oxidative polymerization of methylenebisacrylamide2.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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