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597-50-2 molecular structure
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(diethylphosphoryl)ethane

ChemBase ID: 151593
Molecular Formular: C6H15OP
Molecular Mass: 134.156461
Monoisotopic Mass: 134.08605173
SMILES and InChIs

SMILES:
CCP(=O)(CC)CC
Canonical SMILES:
CCP(=O)(CC)CC
InChI:
InChI=1S/C6H15OP/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3
InChIKey:
ZSSWXNPRLJLCDU-UHFFFAOYSA-N

Cite this record

CBID:151593 http://www.chembase.cn/molecule-151593.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(diethylphosphoryl)ethane
IUPAC Traditional name
(diethylphosphoryl)ethane
Synonyms
Triethylphosphine oxide
三乙基氧膦
CAS Number
597-50-2
MDL Number
MFCD00013914
PubChem SID
24880030
162245745
PubChem CID
79061

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 79061 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.49452892  LogD (pH = 7.4) -0.49452892 
Log P -0.49452892  Molar Refractivity 38.4762 cm3
Polarizability 15.057087 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Crystalline expand Show data source
Melting Point
48-50°C expand Show data source
48-52 °C(lit.) expand Show data source
RTECS
SZ1640000 expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
97% expand Show data source
Linear Formula
(C2H5)3PO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 562394 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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