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756-79-6 molecular structure
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dimethyl methylphosphonate

ChemBase ID: 74984
Molecular Formular: C3H9O3P
Molecular Mass: 124.075521
Monoisotopic Mass: 124.02893078
SMILES and InChIs

SMILES:
P(=O)(OC)(OC)C
Canonical SMILES:
COP(=O)(OC)C
InChI:
InChI=1S/C3H9O3P/c1-5-7(3,4)6-2/h1-3H3
InChIKey:
VONWDASPFIQPDY-UHFFFAOYSA-N

Cite this record

CBID:74984 http://www.chembase.cn/molecule-74984.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl methylphosphonate
IUPAC Traditional name
dimethyl methylphosphonate
Synonyms
Dimethyl methylphosphonate
Dimethoxymethyl phosphine oxide
Fyrol DMMP
Methanephosphonic acid dimethyl ester
NSC 62240
Reoflam DMMP
Dimethyl methylphosphonate
DMMP
Methylphosphonic acid dimethyl ester
DIMETHYLMETHYLPHOSPHONATE
甲基膦酸二甲酯
甲基磷酸二甲酯
CAS Number
756-79-6
EC Number
212-052-3
MDL Number
MFCD00008349
Beilstein Number
878263
Merck Index
143391
PubChem SID
162039902
24893515
24883205
PubChem CID
12958
Chemspider ID
12418
Wikipedia Title
Dimethyl_methylphosphonate

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.11216304  LogD (pH = 7.4) -0.11216304 
Log P -0.11216304  Molar Refractivity 26.1426 cm3
Polarizability 11.052001 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)
Apperance
colorless liquid expand Show data source
Melting Point
-50°C expand Show data source
Boiling Point
180-181°C expand Show data source
181 °C(lit.) expand Show data source
181°C expand Show data source
Flash Point
156.2 °F expand Show data source
68°C expand Show data source
68°C(154°F) expand Show data source
69 °C expand Show data source
Density
1.145 g/ml expand Show data source
1.145 g/mL at 25 °C(lit.) expand Show data source
1.16 expand Show data source
Refractive Index
1.413 expand Show data source
1.4130 expand Show data source
n20/D 1.413 expand Show data source
n20/D 1.413(lit.) expand Show data source
Vapor Pressure
<0.1 mmHg ( 20 °C) expand Show data source
Storage Warning
Harmful/Carcinogenic/Mutagenic/Teratogenic/Irritant expand Show data source
RTECS
SZ9120000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
3 expand Show data source
Risk Statements
46-36 expand Show data source
46-36-52/53 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
53-26-45 expand Show data source
53-45-61 expand Show data source
S:20-25-26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H319-H332 expand Show data source
H340-H319-H227-H402-H412 expand Show data source
GHS Precautionary statements
P210-P280-P281-P305+P351+P338-P405-P501A expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, 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
97% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3P(O)(OCH3)2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05204081 external link
NOT FOR EXPORT
Sigma Aldrich - D169102 external link
Packaging
100, 500 g in poly bottle
5 g in glass bottle
Application
Reagent used in the conversion of esters to ketophosphonates.1,2,3
Used to test SXFA-coated SAW chemical sensors for organophosphorous compound detectionUsed as a chemical agent simulant for testing of protective performance of PSS membranes and functionalized sorbent membranesReactant for photocatalytic oxidationAdditive for synthesis of:
• Flame retardant high phosphorous containing unsaturated polyester resin
• UV-cured epoxy acrylate / microencapsulated phase change material
Sigma Aldrich - 64258 external link
Other Notes
Convenient Wittig-Horner reagent7,8
Application
Used to test SXFA-coated SAW chemical sensors for organophosphorous compound detection1Used as a chemical agent simulant for testing of protective performance of PSS membranes2 and functionalized sorbent membranes3Reactant for photocatalytic oxidation4Additive for synthesis of:
• Flame retardant high phosphorous containing unsaturated polyester resin5
• UV-cured epoxy acrylate / microencapsulated phase change material6

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • See also Diethyl methylphosphonate, A14772 and Appendix 1.
  • • The lithio-derivative reacts with esters to give ?-ketophosphonates, useful precursors of ɑ?-unsaturated ketones by Horner-Wadsworth-Emmons olefination: J. Am. Chem. Soc., 88, 5654 (1966). An intramolecular version leads to cyclopentenones: Synth. Commun., 5, 1 (1975); Tetrahedron Lett., 22, 257 (1981). Dimethyl glutarate gives the 3-(phosphonatomethyl)cyclohexenone, olefination of which affords the corresponding 3-alkenylcycloalkenone. Dimethyl succinate also gives this reaction, but in lower yield; higher diesters give acyclic products: J. Org. Chem., 59, 1943 (1994):
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PATENTS

PATENTS

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INTERNET

INTERNET

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