It is an important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.
| Pubchem Sid | 488184971 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184971 |
| Sonrisas canónicas | C1=C(C(=NC(=N1)Cl)N)[N+](=O)[O-] |
| IUPAC Name | 2-chloro-5-nitropyrimidin-4-amine |
| InChIKey | RZGOEIWDMVQJBQ-UHFFFAOYSA-N |
| INCHI | 1S/C4H3ClN4O2/c5-4-7-1-2(9(10)11)3(6)8-4/h1H,(H2,6,7,8) |
| Isómeros SMILES | C1=C(C(=NC(=N1)Cl)N)[N+](=O)[O-] |
| WGK Alemania | 3 |
| Peso molecular | 174.55 |
| Reaxy-Rn | 156953 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=156953&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 | Organic 1,3-dipolar compounds |
| Clase | Allyl-type 1,3-dipolar organic compounds |
| Subclass | Organic nitro compounds |
| Intermediate Tree Nodes | C-nitro compounds |
| Direct Parent | Nitroaromatic compounds |
| Alternative Parents | Aminopyrimidines and derivatives 2-halopyrimidines Imidolactams Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitroaromatic compound - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organic zwitterion - Primary amine - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic 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 | Fecha | Articulo |
|---|---|---|---|
 A2207667 | Certificate of Analysis | Oct 13, 2025 | A123046 |
| A2207698 | Certificate of Analysis | Oct 13, 2025 | A123046 |
| H1704019 | Certificate of Analysis | Mar 04, 2025 | A123046 |
| C2302427 | Certificate of Analysis | Mar 15, 2023 | A123046 |
| C2302425 | Certificate of Analysis | Dec 14, 2021 | A123046 |
| Solubilidad | Slightly soluble in water. |
|---|---|
| Punto de fusión (°C) | 221-226°C |
| Peso molecular | 174.540 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 173.994 Da |
| Monoisotopic Mass | 173.994 Da |
| Topological Polar Surface Area | 97.600 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 161.000 |
| 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 |
