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7650-89-7 molecular structure
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tribenzylphosphane

ChemBase ID: 146426
Molecular Formular: C21H21P
Molecular Mass: 304.365201
Monoisotopic Mass: 304.1380873
SMILES and InChIs

SMILES:
c1ccc(cc1)CP(Cc1ccccc1)Cc1ccccc1
Canonical SMILES:
c1ccc(cc1)CP(Cc1ccccc1)Cc1ccccc1
InChI:
InChI=1S/C21H21P/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2
InChIKey:
IFXORIIYQORRMJ-UHFFFAOYSA-N

Cite this record

CBID:146426 http://www.chembase.cn/molecule-146426.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tribenzylphosphane
IUPAC Traditional name
tribenzylphosphine
Synonyms
Tribenzylphosphine
三苄基膦
CAS Number
7650-89-7
EC Number
231-608-6
MDL Number
MFCD00014439
Beilstein Number
650179
PubChem SID
162240622
24860443
24889395
PubChem CID
82101

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 82101 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.060696  LogD (pH = 7.4) 5.7607107 
Log P 6.0671  Molar Refractivity 100.6428 cm3
Polarizability 37.892147 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)
Apperance
Crystalline expand Show data source
Melting Point
93-99°C expand Show data source
96-101 °C expand Show data source
96-101 °C(lit.) expand Show data source
Boiling Point
183-185°C/0.2mm expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
RTECS
SZ3865000 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 expand Show data source
26-37 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
≥95.0% (GC) expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
(C6H5CH2)3P expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 336947 external link
Packaging
2, 10 g in glass bottle
Application
Cocatalyst in:
• Preparation of coumarin derivatives via nickel-catalyzed cycloaddition1
• Copolymerization reactions2
• Rh-catalyzed hydroformylation reactions3
• Platinum-catalyzed oxidative hydroxylation reactions4
• Preparation of substituted allylamines by three-component coupling of alkynes, imines and organoboranes5
• Ruthenium catalyzed metathesis reactions (Degenerate ligand exchange)6
Sigma Aldrich - 90680 external link
Other Notes
Moderately bulky phosphine ligand used in organometallic complexes (core angle 165°)7,8
Application
Cocatalyst in:
• Preparation of coumarin derivatives via nickel-catalyzed cycloaddition1
• Copolymerization reactions2
• Rh-catalyzed hydroformylation reactions3
• Platinum-catalyzed oxidative hydroxylation reactions4
• Preparation of substituted allylamines by three-component coupling of alkynes, imines and organoboranes5
• Ruthenium catalyzed metathesis reactions (Degenerate ligand exchange)6

REFERENCES

REFERENCES

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PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

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