Diphenyl methylphosphonate
Basic information
- CAS
7526-26-3- Standard SMILES
CP(=O)(Oc1ccccc1)Oc1ccccc1- InChIKey
HPUPGAFDTWIMBR-UHFFFAOYSA-N- Molecular formula
- C13H13O3P
- Average molar mass
- 248.21 g/mol
- Monoisotopic mass
- 248.06023127
Names & identifiers
- Preferred name
- Diphenyl methylphosphonate
- IUPAC
- [methyl(phenoxy)phosphoryl]oxybenzene
- English name
- DIPHENYL METHYLPHOSPHONATE
- Molecular formula
- C13H13O3P
- Molecular weight
- 248.21
Names & synonyms
Diphenyl methylphosphonatePhosphonic acid, methyl-, diphenyl esterEINECS 231-388-1Phosphonic acid, P-methyl-, diphenyl esterDTXSID2064731EC 231-388-1RefChem:134647DTXCID3047764231-388-17526-26-3[methyl(phenoxy)phosphoryl]oxybenzeneMethylphosphonic Acid Diphenyl Ester
Show more names
DIPHENYL METHYLPHOSPHONATE 96%methyl-phosphonicacidiphenylesterMETHANEPHOSPHONICACIDDIPHENYLESTERPhosphonicacid,methyl-,diphenylester
MFCD00137951CBMicro_008796YC5J5GTR69SCHEMBL310184SCHEMBL4453512SMSF0003627AKOS003660303CB11813
Database identifiers
- CAS
7526-26-3- PubChem CID
- 82027
- DTXSID
DTXSID2064731- UNII
- YC5J5GTR69
- EC Number
- 231-388-1
- Nikkaji
- J307.861B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 32.5 · 32.5-37.5 °C(lit.)
- Boiling point
- 151 °C · 151 °C(Press: 0.8 Torr)
- Density
- 1.21 g/mL · 1.21 g/mL at 25 °C(lit.)
- vapor pressure
- 0.009 Pa · 0.009Pa at 25℃
- Flash point
- 230 °F · 230 °F
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- solid
- Water Solubility
- 1.56 g/L · 1.56g/L at 20℃
- InChI
- InChI=1S/C13H13O3P/c1-17(14,15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h2-11H,1H3
- InChIKey
- HPUPGAFDTWIMBR-UHFFFAOYSA-N
- SMILES
- P(C)(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1
- LogP
- 2.8 at · 2.8 at 30℃
- CAS DataBase Reference
- 7526 · 7526-26-3
- EPA Substance Registry System
- Phosphonic acid, methyl-, diphenyl ester (7526-26-3)
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 411 · H411-H301-H311
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
- WGK Germany
- 3 · 3
- RTECS
- 9127500 · SZ9127500
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P262, P264, P270, P273, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phosphonic acid, methyl-, diphenyl ester
REACH registered substance: Diphenyl methylphosphonate (EC: 231-388-1)
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SZ9127500
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- Hazard statements
- H411-H301-H311
- REACH Registrations
- Active
- Precautionary statements
- P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphonic acid, P-methyl-, diphenyl ester: ACTIVE
Applications
UsesDiphenyl Methylphosphonate is an intermediate in the synthesis of organophosphorus compounds as potential pesticides.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
7 records
Compound notes
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