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719-80-2 molecular structure
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ethyl diphenylphosphinite

ChemBase ID: 75021
Molecular Formular: C14H15OP
Molecular Mass: 230.242061
Monoisotopic Mass: 230.08605173
SMILES and InChIs

SMILES:
P(c1ccccc1)(c1ccccc1)OCC
Canonical SMILES:
CCOP(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H15OP/c1-2-15-16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey:
JCRCPEDXAHDCAJ-UHFFFAOYSA-N

Cite this record

CBID:75021 http://www.chembase.cn/molecule-75021.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl diphenylphosphinite
IUPAC Traditional name
ethyl diphenylphosphinite
Synonyms
Ethyldiphenylphosphinite
Ethyl diphenylphosphinite
Diphenylphosphinous acid ethyl ester
Ethoxydiphenylphosphine
Diphenylethoxyphosphine
Ethyl diphenylphosphinite
二苯基次磷酸乙酯
乙氧基二苯基膦
二苯基乙氧基膦
CAS Number
719-80-2
EC Number
211-951-8
MDL Number
MFCD00009087
Beilstein Number
1641750
PubChem SID
162039939
24848957
PubChem CID
69754

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.0386  LogD (pH = 7.4) 4.0386 
Log P 4.0386  Molar Refractivity 67.9441 cm3
Polarizability 27.027954 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
179-180°C/14mm expand Show data source
Flash Point
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.064 expand Show data source
1.066 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.5900 expand Show data source
n20/D 1.59(lit.) expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Linear Formula
(C6H5)2POC2H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 149489 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Arbuzov reaction with alkyl halides gives diphenyl phosphine oxides, useful as Wittig-Horner intermediates. See, for example: Synthesis, 126 (1977); Tetrahedron Lett., 2433 (1979); Appendix 1.
  • • An iminophosphorane, formed with an azido ester (Staudinger), reacts with a carboxyl group to form an amide, providing the basis of a novel peptide coupling method. The reaction occurs at lower temperatures with this reagent rather than tributyl- or triphenylphosphine: J. Org. Chem., 50, 2601 (1985). See Appendix 6.
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PATENTS

PATENTS

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INTERNET

INTERNET

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