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Diphenyl Phosphate-d10

CAT: 0572-TRC-D492002-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D492002-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1477494-97-5
Synonyms
Phosphoric Acid Diphenyl Ester-d10; Diphenyl Hydrogen Phosphate-d10; NSC 6518-d10; Phenyl Phosphate-d10;
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN3261; Packing Group: II
Purity
>95% (HPLC)
Smiles
[2H]c1c([2H])c([2H])c(OP(=O)(O)Oc2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
Molecular Formula
C12 D10 H O4 P
Molecular Weight
260.25
InChI
InChI=1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
Additionnal Information
IUPAC name: bis(2,3,4,5,6-pentadeuteriophenyl) hydrogen phosphate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Diphenyl Phosphate-d10
CAS Number1477494-97-5
PubChem CID131667958
IUPAC Namebis(2,3,4,5,6-pentadeuteriophenyl) hydrogen phosphate
Molecular FormulaC12H11O4P
Molecular Weight260.25
XLogP1.4
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity246
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])OP(=O)(O)OC2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D
InChIKey
ASMQGLCHMVWBQR-LHNTUAQVSA-N
Chemical Structure
2D Structure
2D structure of Diphenyl Phosphate-d10
CAS: 1477494-97-5
CID: 131667958
Formula: C12H11O4P
MW: 260.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.25
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass260.10226329
Monoisotopic Mass260.10226329
Topological Polar Surface Area55.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity246
Isotope Atom Count10
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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sc-497846Diphenyl Phosphate-d10
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T211067-014-Isopropylphenyl Diphenyl Phosphate-d10
HY-W7134712-Isopropylphenyl Diphenyl Phosphate-d10
426177-013-Isopropylphenyl Diphenyl Phosphate-d10
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sc-227920Diphenyl-d10
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