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102-84-1 molecular structure
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tris(prop-2-en-1-yl) phosphite

ChemBase ID: 111431
Molecular Formular: C9H15O3P
Molecular Mass: 202.187361
Monoisotopic Mass: 202.07588097
SMILES and InChIs

SMILES:
C=CCOP(OCC=C)OCC=C
Canonical SMILES:
C=CCOP(OCC=C)OCC=C
InChI:
InChI=1S/C9H15O3P/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-6H,1-3,7-9H2
InChIKey:
KJWHEZXBZQXVSA-UHFFFAOYSA-N

Cite this record

CBID:111431 http://www.chembase.cn/molecule-111431.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(prop-2-en-1-yl) phosphite
IUPAC Traditional name
tris(prop-2-en-1-yl) phosphite
Synonyms
TRIALLYL PHOSPHITE
Triallyl phosphite
亚磷酸三丙烯酯
CAS Number
102-84-1
EC Number
203-060-8
MDL Number
MFCD00014948
Beilstein Number
1705535
PubChem SID
162103313
PubChem CID
66893

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 66893 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1276982  LogD (pH = 7.4) 3.1277 
Log P 3.1277  Molar Refractivity 55.4648 cm3
Polarizability 21.3867 Å3 Polar Surface Area 27.69 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
84°C expand Show data source
84°C/12mm expand Show data source
Flash Point
86°C(187°F) expand Show data source
Storage Warning
Air & Moisture Sensitive expand Show data source
RTECS
TH1772500 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
UN3278 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
21-25 expand Show data source
Safety Statements
36/37-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H312 expand Show data source
GHS Precautionary statements
P280H-P309-P310 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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