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7333-67-7 molecular structure
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triphenyl[3-(triphenylphosphaniumyl)propyl]phosphanium dibromide

ChemBase ID: 85009
Molecular Formular: C39H36Br2P2
Molecular Mass: 726.458662
Monoisotopic Mass: 724.06589841
SMILES and InChIs

SMILES:
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
Canonical SMILES:
C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
InChI:
InChI=1S/C39H36P2.2BrH/c1-7-20-34(21-8-1)40(35-22-9-2-10-23-35,36-24-11-3-12-25-36)32-19-33-41(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39;;/h1-18,20-31H,19,32-33H2;2*1H/q+2;;/p-2
InChIKey:
VHCYVFIHNUYVHU-UHFFFAOYSA-L

Cite this record

CBID:85009 http://www.chembase.cn/molecule-85009.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
triphenyl[3-(triphenylphosphaniumyl)propyl]phosphanium dibromide
IUPAC Traditional name
triphenyl[3-(triphenylphosphaniumyl)propyl]phosphanium dibromide
Synonyms
triphenyl[3-(1,1,1-triphenylphosphonio)propyl]phosphonium dibromide
1,3-Bis(triphenylphosphonio)propane dibromide
Trimethylenebis(triphenylphosphonium bromide)
三亚甲基双(三苯基溴化膦)
CAS Number
7333-67-7
EC Number
230-835-8
MDL Number
MFCD00051885
Beilstein Number
4281936
PubChem SID
162072125
PubChem CID
2795061

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2795061 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 9.144016  LogD (pH = 7.4) 9.144016 
Log P 9.144016  Molar Refractivity 177.3388 cm3
Polarizability 69.967995 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 10  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
333-335°C expand Show data source
Storage Warning
Hygroscopic expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • The bis-Wittig reaction with ɑ-dicarbonyl compounds has been used to prepare cyclopentadienes for subsequent use in the Diels-Alder reaction: J. Am. Chem. Soc., 111, 2351 (1989). For use in the synthesis of open-chain or cyclic polyenes, see: Liebigs Ann. Chem., 619, 10 (1958). Reaction with geranylacetone provides a one-step synthesis of norsqualene: Synthesis, 22 (1970).
  • • For review of the bis-Wittig reaction in the synthesis of non-benzenoid aromatic compounds, see: Synthesis, 765 (1975).
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PATENTS

PATENTS

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INTERNET

INTERNET

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