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23582-03-8 molecular structure
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(2-{bis[2-(diphenylphosphanyl)ethyl]phosphanyl}ethyl)diphenylphosphane

ChemBase ID: 151924
Molecular Formular: C42H42P4
Molecular Mass: 670.677924
Monoisotopic Mass: 670.22369786
SMILES and InChIs

SMILES:
c1ccc(cc1)P(CCP(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)P(c1ccccc1)CCP(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C42H42P4/c1-7-19-37(20-8-1)44(38-21-9-2-10-22-38)34-31-43(32-35-45(39-23-11-3-12-24-39)40-25-13-4-14-26-40)33-36-46(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-30H,31-36H2
InChIKey:
TVLNGWSWPKIYAO-UHFFFAOYSA-N

Cite this record

CBID:151924 http://www.chembase.cn/molecule-151924.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-{bis[2-(diphenylphosphanyl)ethyl]phosphanyl}ethyl)diphenylphosphane
IUPAC Traditional name
(2-{bis[2-(diphenylphosphanyl)ethyl]phosphanyl}ethyl)diphenylphosphane
Synonyms
Tetraphos-Li
Tris[2-(diphenylphosphino)ethyl]phosphine
三[2-(二苯基磷)乙基]磷
CAS Number
23582-03-8
EC Number
245-754-3
MDL Number
MFCD00010009
PubChem SID
24859679
162246070
PubChem CID
98777

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
327697 external link Add to cart Please log in.
Data Source Data ID
PubChem 98777 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 9.8992195  LogD (pH = 7.4) 9.90077 
Log P 10.256  Molar Refractivity 207.0627 cm3
Polarizability 80.3962 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 15  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
134-135 °C(lit.) expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
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
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Purity
97% expand Show data source
Linear Formula
[(C6H5)2PCH2CH2]3P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 327697 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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