| Pubchem Sid | 504756182 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756182 |
| Sonrisas canónicas | C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC(=CC=C3)OP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5 |
| IUPAC Name | (3-diphenoxyphosphoryloxyphenyl) diphenyl phosphate |
| InChIKey | OWICEWMBIBPFAH-UHFFFAOYSA-N |
| INCHI | 1S/C30H24O8P2/c31-39(33-25-14-5-1-6-15-25,34-26-16-7-2-8-17-26)37-29-22-13-23-30(24-29)38-40(32,35-27-18-9-3-10-19-27)36-28-20-11-4-12-21-28/h1-24H |
| Isómeros SMILES | C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC(=CC=C3)OP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5 |
| PubChem CID | 93311 |
| Peso molecular | 574.46 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Organic phosphoric acids and derivatives |
| Subclass | Phosphate esters |
| Intermediate Tree Nodes | Aryl phosphates |
| Direct Parent | Aryl phosphotriesters |
| Alternative Parents | Phenoxy compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aryl phosphotriester - Phenoxy compound - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl phosphotriesters. These are aryl phosphates in which the phosphate is esterified at exactly three positions. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 C23031055 | Certificate of Analysis | Oct 10, 2022 | R304040 |
| C23031056 | Certificate of Analysis | Oct 10, 2022 | R304040 |
| C23031057 | Certificate of Analysis | Oct 10, 2022 | R304040 |
| C23031071 | Certificate of Analysis | Oct 10, 2022 | R304040 |
| C23031103 | Certificate of Analysis | Oct 10, 2022 | R304040 |
| F2611119 | Certificate of Analysis | Oct 10, 2022 | R304040 |
| H2518027 | Certificate of Analysis | Oct 10, 2022 | R304040 |
| I2516030 | Certificate of Analysis | Oct 10, 2022 | R304040 |
| K2428096 | Certificate of Analysis | Oct 10, 2022 | R304040 |
| Peso molecular | 574.500 g/mol |
|---|---|
| XLogP3 | 7.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 12 |
| Exact Mass | 574.095 Da |
| Monoisotopic Mass | 574.095 Da |
| Topological Polar Surface Area | 89.500 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 718.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Xinwei Wang, Ting Lu, Bin Yang, Jing Cao, Mei Li. (2024) Exposure to resorcinol bis (diphenyl phosphate) induces colonization of alien microorganisms with potential impacts on the gut microbiota and metabolic disruption in male zebrafish. SCIENCE OF THE TOTAL ENVIRONMENT, [PMID:38719053] [10.1016/j.scitotenv.2024.172892] |
| 2. Peng Zhang, Yaqing Cui, Ren Shi, Jing Wang, Linke Ge, Qinglin Mu. (2024) Occurrence and ecological risks of organophosphate esters in the sediments of Hangzhou Bay and the East China Sea. MARINE POLLUTION BULLETIN, [PMID:39615336] [10.1016/j.marpolbul.2024.117332] |
