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Diphenyl Methylphosphonate

CAT: 0572-TRC-D492115-2.5GSize: 2.5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-D492115-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7526-26-3
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
CP(=O)(Oc1ccccc1)Oc2ccccc2
Molecular Formula
C13 H13 O3 P
Molecular Weight
248.21
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
Additionnal Information
IUPAC name: [methyl(phenoxy)phosphoryl]oxybenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Diphenyl methylphosphonate
CAS Number7526-26-3
PubChem CID82027
IUPAC Name[methyl(phenoxy)phosphoryl]oxybenzene
Molecular FormulaC13H13O3P
Molecular Weight248.21
XLogP2.7
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity244
SMILES
CP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2
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
Chemical Structure
2D Structure
2D structure of Diphenyl methylphosphonate
CAS: 7526-26-3
CID: 82027
Formula: C13H13O3P
MW: 248.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.21
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass248.06023127
Monoisotopic Mass248.06023127
Topological Polar Surface Area35.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity244
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TRC-E924886-50MGEthyl Methylphosphonate
TRC-D442355-1GDiethyl Methylphosphonate
TRC-E924886-250MGEthyl Methylphosphonate
TRC-D442355-250MGDiethyl Methylphosphonate
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Alternative Products

CatalogName
447337-01Diphenyl Methylphosphonate
D42100Dimethyl methylphosphonate
449680-01Ethyl Methylphosphonate
446852-01Diethyl Methylphosphonate
RG-E141577-01Pinacolyl methylphosphonate
sc-268917Diisopropyl methylphosphonate
AR-P31467-01Dioctyl Methylphosphonate
RG-E141574-01Isopropyl methylphosphonate
RG-E141576-01Cyclohexyl methylphosphonate
sc-278969Diisobutyl methylphosphonate

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