Home > Compound List > Compound details
27721-02-4 molecular structure
click picture or here to close

[5-(diphenylphosphanyl)pentyl]diphenylphosphane

ChemBase ID: 147407
Molecular Formular: C29H30P2
Molecular Mass: 440.496022
Monoisotopic Mass: 440.18227422
SMILES and InChIs

SMILES:
c1ccc(cc1)P(CCCCCP(c1ccccc1)c1ccccc1)c1ccccc1
Canonical SMILES:
C(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C29H30P2/c1-6-16-26(17-7-1)30(27-18-8-2-9-19-27)24-14-5-15-25-31(28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-4,6-13,16-23H,5,14-15,24-25H2
InChIKey:
MZFPAWGWFDGCHP-UHFFFAOYSA-N

Cite this record

CBID:147407 http://www.chembase.cn/molecule-147407.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[5-(diphenylphosphanyl)pentyl]diphenylphosphane
IUPAC Traditional name
[5-(diphenylphosphanyl)pentyl]diphenylphosphane
Synonyms
1,5-pentanediylbis[diphenylphosphine]
DPPENT
Pentamethylenebis[diphenylphosphine]
dpppe
1,5-Bis(diphenylphosphino)pentane
1,5-Bis(diphenylphosphino)pentane
1,5-双(二苯基膦)戊烷
1,5-双(联苯基膦)戊烷
CAS Number
27721-02-4
MDL Number
MFCD00003052
Beilstein Number
2953640
PubChem SID
162241595
24857305
PubChem CID
2733414

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.0017  LogD (pH = 7.4) 8.0017 
Log P 8.0017  Molar Refractivity 135.6358 cm3
Polarizability 53.905785 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
43-47 °C expand Show data source
43-47 °C(lit.) expand Show data source
46-48°C expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
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 expand Show data source
26-37/39 expand Show data source
TSCA Listed
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
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥95% (31P-NMR) expand Show data source
97% expand Show data source
Grade
technical expand Show data source
Linear Formula
(C6H5)2P(CH2)5P(C6H5)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 287997 external link
Packaging
1, 5 g 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