≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C(=CC=C2)Cl)Cl)C(=O)O |
|---|---|
| IUPAC Name | 4-(2,3-dichlorophenyl)-5-methoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid |
| InChIKey | LHAOQTPGTBGTIG-UHFFFAOYSA-N |
| INCHI | 1S/C16H15Cl2NO4/c1-7-11(15(20)21)13(9-5-4-6-10(17)14(9)18)12(8(2)19-7)16(22)23-3/h4-6,13,19H,1-3H3,(H,20,21) |
| Isomeric SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C(=CC=C2)Cl)Cl)C(=O)O |
| Alternate CAS | 105580-45-8 |
| Molecular Weight | 356.20 |
| Reaxy-Rn | 4552837 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4552837&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 | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Hydropyridines |
| Intermediate Tree Nodes | Dihydropyridines |
| Direct Parent | Dihydropyridinecarboxylic acids and derivatives |
| Alternative Parents | Dichlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Vinylogous amides Methyl esters Enoate esters Amino acids Azacyclic compounds Carboxylic acids Dialkylamines Enamines Organochlorides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Dihydropyridinecarboxylic acid derivative - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Carboxylic acid derivative - Secondary amine - Enamine - Azacycle - Carboxylic acid - Secondary aliphatic amine - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organohalogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2423304 | Certificate of Analysis | May 11, 2024 | D190248 |
| H2423305 | Certificate of Analysis | May 11, 2024 | D190248 |
| H2423306 | Certificate of Analysis | May 11, 2024 | D190248 |
| H2423307 | Certificate of Analysis | May 11, 2024 | D190248 |
| H2423308 | Certificate of Analysis | May 11, 2024 | D190248 |
| H2423309 | Certificate of Analysis | May 11, 2024 | D190248 |
| H2423310 | Certificate of Analysis | May 11, 2024 | D190248 |
| H2423311 | Certificate of Analysis | May 11, 2024 | D190248 |
| H2423312 | Certificate of Analysis | May 11, 2024 | D190248 |
| H2423313 | Certificate of Analysis | May 11, 2024 | D190248 |
| H2423314 | Certificate of Analysis | May 11, 2024 | D190248 |
| H2423315 | Certificate of Analysis | May 11, 2024 | D190248 |
| Molecular Weight | 356.200 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 355.038 Da |
| Monoisotopic Mass | 355.038 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 585.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
