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Basic Description
| Synonyms | 4-chloro-5,6-dimethoxypyrimidine | 5193-88-4 | MFCD24153943 | 4-Chlor-5,6-dimethoxypyrimidin | SCHEMBL9044468 | DKBXBJYGZWSILU-UHFFFAOYSA-N | DTXSID201301491 | AMY11633 | AKOS020299176 | GS-6035 | SB57319 | SY122422 | CS-0045702 | H10092 | EN300-1702669 | A924251 |
|---|---|
| Specifications & Purity | ≥97% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
- Class Diazines
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Halopyrimidines |
| Alternative Parents | Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Halopyrimidine - Alkyl aryl ether - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488200132 |
|---|---|
| IUPAC Name | 4-chloro-5,6-dimethoxypyrimidine |
| INCHI | InChI=1S/C6H7ClN2O2/c1-10-4-5(7)8-3-9-6(4)11-2/h3H,1-2H3 |
| InChIKey | DKBXBJYGZWSILU-UHFFFAOYSA-N |
| Smiles | COC1=C(N=CN=C1Cl)OC |
| Isomeric SMILES | COC1=C(N=CN=C1Cl)OC |
| Molecular Weight | 174.58 |
| Reaxy-Rn | 880808 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=880808&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2416239 |
Certificate of Analysis | Sep 19, 2022 | C407292 |
| J2213362 |
Certificate of Analysis | Sep 19, 2022 | C407292 |
| L2418249 |
Certificate of Analysis | Sep 19, 2022 | C407292 |
| J2213369 |
Certificate of Analysis | Sep 19, 2022 | C407292 |
| J2213363 |
Certificate of Analysis | Sep 19, 2022 | C407292 |
Chemical and Physical Properties
| Molecular Weight | 174.580 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 174.02 Da |
| Monoisotopic Mass | 174.02 Da |
| Topological Polar Surface Area | 44.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 125.000 |
| 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 |
Solution Calculators
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