Home > Compound List > Compound details
207596-31-4 molecular structure
click picture or here to close

1,3-dioxa-2-platinacyclopentane-4,5-dione bis(triethylphosphane) hydrate

ChemBase ID: 150330
Molecular Formular: C14H32O5P2Pt
Molecular Mass: 537.426402
Monoisotopic Mass: 537.13728838
SMILES and InChIs

SMILES:
CCP(CC)CC.CCP(CC)CC.C1(=O)C(=O)O[Pt]O1.O
Canonical SMILES:
O=C1O[Pt]OC1=O.CCP(CC)CC.CCP(CC)CC.O
InChI:
InChI=1S/2C6H15P.C2H2O4.H2O.Pt/c2*1-4-7(5-2)6-3;3-1(4)2(5)6;;/h2*4-6H2,1-3H3;(H,3,4)(H,5,6);1H2;/q;;;;+2/p-2
InChIKey:
DUKKINGBPAFMGJ-UHFFFAOYSA-L

Cite this record

CBID:150330 http://www.chembase.cn/molecule-150330.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dioxa-2-platinacyclopentane-4,5-dione bis(triethylphosphane) hydrate
IUPAC Traditional name
1,3-dioxa-2-platinacyclopentane-4,5-dione bis(triethylphosphine) hydrate
Synonyms
Oxalatobis(triethylphosphine)platinum(II)
双(三乙基膦)草酸铂(II)
CAS Number
207596-31-4
PubChem SID
162244491
PubChem CID
71311463

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
331422 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311463 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.91666883  LogD (pH = 7.4) 0.979991 
Log P 1.7648  Molar Refractivity 41.0508 cm3
Polarizability 14.511799 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
280 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/37/38 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
H302-H312-H315-H319-H332-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Empirical Formula (Hill Notation)
C14H30O4P2Pt · xH2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 331422 external link
Packaging
1 g in glass bottle
250 mg in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle