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A2214268Determine the necessary mass, volume, or concentration for preparing a solution.
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Basic Description
| Synonyms | 2,5-Dimethylterephthalaldehyde | 7044-92-0 | 2,5-DIMETHYLBENZENE-1,4-DICARBALDEHYDE | 2,5-dimethyl-1,4-benzenedicarboxaldehyde | 1,4-Benzenedicarboxaldehyde, 2,5-dimethyl- | 3,6-Dimethylterephthalaldehyde | Terephthalaldehyde, 2,5-dimethyl- | YSZC490 | SCHEMBL2884919 | AIB |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Store at 2-8°C,Desiccated |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Benzoyl derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | p-Xylenes Benzaldehydes Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | P-xylene - Xylene - Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 504759433 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759433 |
| IUPAC Name | 2,5-dimethylterephthalaldehyde |
| INCHI | InChI=1S/C10H10O2/c1-7-3-10(6-12)8(2)4-9(7)5-11/h3-6H,1-2H3 |
| InChIKey | AIBJDPZNCNFKMR-UHFFFAOYSA-N |
| Smiles | CC1=CC(=C(C=C1C=O)C)C=O |
| Isomeric SMILES | CC1=CC(=C(C=C1C=O)C)C=O |
| Molecular Weight | 162.18 |
| Reaxy-Rn | 2206954 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2206954&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 162.180 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 162.068 Da |
| Monoisotopic Mass | 162.068 Da |
| Topological Polar Surface Area | 34.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 157.000 |
| 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 |
Citations of This Product
| 1. Hongyi Chen, Qiming Liu, Shiyue Cao. (2023) Carbon-coated iron selenide derived from double-framework as an advance anode for Na-ion battery. JOURNAL OF COLLOID AND INTERFACE SCIENCE, 652 (619). |
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