Application：
It's employed as an important intermediate for raw material for organic synthesis, agrochemical, pharmaceutical and dyestuff field
| Pubchem Sid | 504756554 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756554 |
| Canonical Smiles | CCOC(=O)C1=CN=C(N=C1Cl)Cl |
| IUPAC Name | ethyl 2,4-dichloropyrimidine-5-carboxylate |
| InChIKey | SRJBDGLSCPDXBL-UHFFFAOYSA-N |
| INCHI | 1S/C7H6Cl2N2O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3 |
| Isomeric SMILES | CCOC(=O)C1=CN=C(N=C1Cl)Cl |
| Molecular Weight | 221.04 |
| Reaxy-Rn | 152173 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=152173&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 | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Pyrimidinecarboxylic acids and derivatives |
| Direct Parent | Pyrimidinecarboxylic acids |
| Alternative Parents | 2-halopyrimidines Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine-5-carboxylic acid - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring. |
| 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 |
|---|---|---|---|
 C2309737 | Certificate of Analysis | Dec 16, 2022 | E156270 |
| C2309753 | Certificate of Analysis | Dec 16, 2022 | E156270 |
| C2309754 | Certificate of Analysis | Dec 16, 2022 | E156270 |
| C2309819 | Certificate of Analysis | Dec 16, 2022 | E156270 |
| Solubility | Soluble in Methanol |
|---|---|
| Sensitivity | Moisture Sensitive |
| Flash Point(°C) | 142 °C |
| Boil Point(°C) | 145 °C/11 mmHg |
| Melt Point(°C) | 36 °C |
| Molecular Weight | 221.040 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 219.981 Da |
| Monoisotopic Mass | 219.981 Da |
| Topological Polar Surface Area | 52.100 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 191.000 |
| 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 |
