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906-65-0 molecular structure
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3-(triphenyl-$l^{5}-phosphanylidene)oxolane-2,5-dione

ChemBase ID: 74881
Molecular Formular: C22H17O3P
Molecular Mass: 360.342341
Monoisotopic Mass: 360.09153103
SMILES and InChIs

SMILES:
P(=C1C(=O)OC(=O)C1)(c1ccccc1)(c1ccccc1)c1ccccc1
Canonical SMILES:
O=C1OC(=O)CC1=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C22H17O3P/c23-21-16-20(22(24)25-21)26(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
InChIKey:
CXYNGWAHZKOMJQ-UHFFFAOYSA-N

Cite this record

CBID:74881 http://www.chembase.cn/molecule-74881.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(triphenyl-$l^{5}-phosphanylidene)oxolane-2,5-dione
3-(triphenyl-λ5-phosphanylidene)oxolane-2,5-dione
IUPAC Traditional name
3-(triphenyl-$l^{5}-phosphanylidene)oxolane-2,5-dione
3-(triphenyl-λ5-phosphanylidene)oxolane-2,5-dione
Synonyms
2-(Triphenylphosphoranylidene)succinic anhydride
2-(Triphenylphosphoranylidene)succinic anhydride
2-(三苯基亚磷基)丁二酸酐
CAS Number
906-65-0
EC Number
212-998-7
MDL Number
MFCD00005529
PubChem SID
24853603
162039799
PubChem CID
70183

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 70183 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.036072  H Acceptors
H Donor LogD (pH = 5.5) 6.2748 
LogD (pH = 7.4) 6.2748  Log P 6.2748 
Molar Refractivity 101.3084 cm3 Polarizability 39.924698 Å3
Polar Surface Area 43.37 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
167 °C (dec.)(lit.) expand Show data source
Storage Warning
Irritant/Moisture Sensitive 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
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C22H17O3P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 226955 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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