Basic information
- CAS
2240-41-7- Standard SMILES
COP(=O)(OC)c1ccccc1- InChIKey
OXDOANYFRLHSML-UHFFFAOYSA-N- Molecular formula
- C8H11O3P
- Average molar mass
- 186.14 g/mol
- Monoisotopic mass
- 186.04458084
Names & identifiers
- Preferred name
- Phosphonic acid, phenyl-, dimethyl ester
- IUPAC
- dimethoxyphosphorylbenzene
- English name
- PHENYLPHOSPHONIC ACID DIMETHYL ESTER
- Molecular formula
- C8H11O3P
- Molecular weight
- 186.14
Names & synonyms
Phosphonic acid, phenyl-, dimethyl esterRefChem:862248Dimethyl Phenylphosphonate2240-41-7dimethoxyphosphorylbenzeneDimethyl benzenephosphonatePhenylphosphonic acid dimethyl esterC8H11O3PDimethylphenylphosphonateMFCD00059292Phosphonic acid, phenyl-, O,O-dimethyl esterBRN 0639039
Show more names
4-(412-Butyl)phenolimethoxyphosphorylbenzeneDimethylPhenylphosphonate>o,o-dimethylphenylphosphonatePHENYLPHOSPHONIC ACOD DIMETHYL ESTERPhosphonicacid,phenyl-,dimethylester
SCHEMBL499887AKOS006230179BP-21368SY054526doi:10.14272/OXDOANYFRLHSML-UHFFFAOYSA-N.1O,O-Dimethyl phenylphosphonateFT-0731949(MeO)2P(O)Cy
Database identifiers
- CAS
2240-41-7- PubChem CID
- 75234
- DTXSID
DTXSID20176933- Nikkaji
- J150.754K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP0.95
Physicochemical properties
- Boiling point
- 247 °C · 247 °C
- Density
- 1.19 · 1.19
- refractive index
- 1.508 to · 1.5080 to 1.5100
- Flash point
- 154 °C · 154 °C
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- color
- Colorless to Almost colorless
- InChI
- InChI=1S/C8H11O3P/c1-10-12(9,11-2)8-6-4-3-5-7-8/h3-7H,1-2H3
- InChIKey
- OXDOANYFRLHSML-UHFFFAOYSA-N
- SMILES
- C1=CC=C(P(=O)(OC)OC)C=C1
- CAS DataBase Reference
- 2240 · 2240-41-7(CAS DataBase Reference)
- Symbol(GHS)
Safety & regulation
Hazard information
Regulatory InformationChemical: Phosphonic acid, phenyl-, dimethyl ester
Safety data
- rtecs
- TA0378000
- hs_code
- 2931499090
- Toxicity
- mouse,LD50,oral,> 500mg/kg (500mg/kg),Journal of Agricultural and Food Chemistry. Vol. 27, Pg. 1197, 1979.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers65 total
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Related reactions
2 records
Compound notes
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