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1605-53-4 molecular structure
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diethyl(phenyl)phosphane

ChemBase ID: 151185
Molecular Formular: C10H15P
Molecular Mass: 166.199861
Monoisotopic Mass: 166.09113711
SMILES and InChIs

SMILES:
CCP(CC)c1ccccc1
Canonical SMILES:
CCP(c1ccccc1)CC
InChI:
InChI=1S/C10H15P/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKey:
LVTCZSBUROAWTE-UHFFFAOYSA-N

Cite this record

CBID:151185 http://www.chembase.cn/molecule-151185.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diethyl(phenyl)phosphane
IUPAC Traditional name
diethyl(phenyl)phosphane
Synonyms
NSC 158475
Diethylphenylphosphine
二乙基苯膦
二乙基苯基膦
CAS Number
1605-53-4
EC Number
216-516-6
MDL Number
MFCD00015172
Beilstein Number
742484
PubChem SID
24863798
162245342
PubChem CID
74149

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 74149 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4281027  LogD (pH = 7.4) 2.845611 
Log P 2.8582  Molar Refractivity 51.3681 cm3
Polarizability 20.457067 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Boiling Point
120-121 °C/29 mmHg(lit.) expand Show data source
220°C expand Show data source
Flash Point
183.2 °F expand Show data source
66°C(150°F) expand Show data source
84 °C expand Show data source
Density
0.954 expand Show data source
0.954 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5475 expand Show data source
n20/D 1.546(lit.) expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN3278 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
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/21/22 expand Show data source
36/37/38 expand Show data source
Safety Statements
17-26-36 expand Show data source
9-36/37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H331-H302-H312-H227 expand Show data source
GHS Precautionary statements
P210-P261-P302+P352-P321-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥97.0% (GC) expand Show data source
96% expand Show data source
97% expand Show data source
Grade
purum expand Show data source
Linear Formula
(C2H5)2PC6H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 381241 external link
Packaging
1 g in ampule
Application
Catalyst for:
• Selective cross-dimerization1
• Diastereoselective condensations2
• Carboxyl migration reactions3
• Selective hydrogenation4
• Asymmetric induction by chiral diphosphines in ring contraction5
Sigma Aldrich - 32445 external link
Application
Catalyst for:
• Selective cross-dimerization1
• Diastereoselective condensations2
• Carboxyl migration reactions3
• Selective hydrogenation4
• Asymmetric induction by chiral diphosphines in ring contraction5

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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