Home > Compound List > Compound details
4645-32-3 molecular structure
click picture or here to close

dimethyl ethenylphosphonate

ChemBase ID: 152651
Molecular Formular: C4H9O3P
Molecular Mass: 136.086221
Monoisotopic Mass: 136.02893078
SMILES and InChIs

SMILES:
COP(=O)(C=C)OC
Canonical SMILES:
COP(=O)(C=C)OC
InChI:
InChI=1S/C4H9O3P/c1-4-8(5,6-2)7-3/h4H,1H2,2-3H3
InChIKey:
CQCXMYUCNSJSKG-UHFFFAOYSA-N

Cite this record

CBID:152651 http://www.chembase.cn/molecule-152651.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl ethenylphosphonate
IUPAC Traditional name
dimethyl ethenylphosphonate
Synonyms
Dimethyl vinylphosphonate
Vinylphosphonic acid dimethyl ester
二甲基乙烯基膦酸酯
乙烯基磷酸二甲酯
CAS Number
4645-32-3
EC Number
225-076-4
MDL Number
MFCD00015488
Beilstein Number
1748827
PubChem SID
162246795
24890078
PubChem CID
78376

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 78376 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.43731225  LogD (pH = 7.4) 0.43731225 
Log P 0.43731225  Molar Refractivity 30.2996 cm3
Polarizability 12.610242 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
<-30°C expand Show data source
Boiling Point
197-202 °C(lit.) expand Show data source
54°C/5mm expand Show data source
Flash Point
101°C(213°F) expand Show data source
208.4 °F expand Show data source
98 °C expand Show data source
Density
1.130 expand Show data source
1.146 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
1.4310 expand Show data source
n20/D 1.428 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Toxic Toxic (T) expand Show data source
UN Number
3265 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
34 expand Show data source
46-22-40 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
53-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H340-H351 expand Show data source
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
P281-P301+P310-P321-P308+P313-P405-P501A expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3265 8/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥95% (GC) expand Show data source
98% expand Show data source
Linear Formula
CH2=CHPO(OCH3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 95020 external link
Other Notes
Vinylphosphonates are versatile reagents undergoing Michael addition giving alkyl phosphonates1,2,3; synthesis of aziridine-2-phosphonates, useful for preparing α-amino phosphonates4
Packaging
5 mL in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle