| Pubchem Sid | 504757896 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757896 |
| Sonrisas canónicas | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3 |
| IUPAC Name | dibenzyl benzene-1,2-dicarboxylate |
| InChIKey | UCVPKAZCQPRWAY-UHFFFAOYSA-N |
| INCHI | 1S/C22H18O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2 |
| Isómeros SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3 |
| Peso molecular | 346.38 |
| Beilstein | 2338250 |
| Reaxy-Rn | 2338250 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2338250&ln= |
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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | Benzyloxycarbonyls Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyloxycarbonyl - Benzoate ester - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| 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 |
|---|---|---|---|
 E2410118 | Certificate of Analysis | Apr 29, 2024 | D354770 |
| E2410119 | Certificate of Analysis | Apr 29, 2024 | D354770 |
| E2410120 | Certificate of Analysis | Apr 29, 2024 | D354770 |
| E2410121 | Certificate of Analysis | Apr 29, 2024 | D354770 |
| E2410122 | Certificate of Analysis | Apr 29, 2024 | D354770 |
| E2410123 | Certificate of Analysis | Apr 29, 2024 | D354770 |
| Solubilidad | Insoluble in water. |
|---|---|
| Índice de refracción | n20D1.61 (Predicted) |
| Punto de ebullición (°C) | 276-278° C at 15 mmHg |
| Punto de fusión (°C) | 40-42° C |
| Peso molecular | 346.400 g/mol |
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 346.121 Da |
| Monoisotopic Mass | 346.121 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 407.000 |
| 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. Yali Yang, Jia Chen, Xiaojing Liang, Bei Liu, Kaijun Quan, Xiuhui Liu, Hongdeng Qiu. (2024) Adjustable chromatographic performance of silica-based mixed-mode stationary phase through the control of co-grafting amounts of imidazole and C18 chain. JOURNAL OF CHROMATOGRAPHY A, [PMID:38598894] [10.1016/j.chroma.2024.464889] |
