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2-Biphenylyl diphenyl phosphate

CAT: 0572-TRC-B522613-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B522613-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
132-29-6
Synonyms
Diphenyl mono-o-xenyl phosphate; Diphenyl o-biphenylyl phosphate; Dow 5; Dow Plasticizer 5; NSC 2889; o-Phenylphenyl bisphenyl phosphate; o-Phenylphenyl diphenyl phosphate; o-Xelenyl diphenyl phosphate
Hazard Statement
May cause long lasting harmful effects to aquatic life
Purity
>95% (HPLC)
Smiles
O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3c4ccccc4
Molecular Formula
C24H19O4P
Molecular Weight
402.38
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Phosphoric acid, (1,1'-biphenyl)-2-yl diphenyl ester
CAS Number132-29-6
PubChem CID67234
IUPAC Namediphenyl (2-phenylphenyl) phosphate
Molecular FormulaC24H19O4P
Molecular Weight402.4
XLogP6.6
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity497
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C24H19O4P/c25-29(26-21-14-6-2-7-15-21,27-22-16-8-3-9-17-22)28-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-19H
InChIKey
QARIOUOTENZTDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phosphoric acid, (1,1'-biphenyl)-2-yl diphenyl ester
CAS: 132-29-6
CID: 67234
Formula: C24H19O4P
MW: 402.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight402.4
XLogP36.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass402.10209608
Monoisotopic Mass402.10209608
Topological Polar Surface Area44.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity497
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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