| Sonrisas canónicas | C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N.C(CS(=O)(=O)O)O |
|---|---|
| IUPAC Name | 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine;2-hydroxyethanesulfonic acid |
| InChIKey | CJIDZLNMKONKAD-UHFFFAOYSA-N |
| INCHI | 1S/C9H7Cl2N5.C2H6O4S/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7;3-1-2-7(4,5)6/h1-3H,(H4,12,13,14,16);3H,1-2H2,(H,4,5,6) |
| Isómeros SMILES | C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N.C(CS(=O)(=O)O)O |
| WGK Alemania | 3 |
| Peso molecular | 382.22 |
| Reaxy-Rn | 8596380 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8596380&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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | Aminotriazines Imidolactams Aryl chlorides 1,2,4-triazines Sulfonyls Organosulfonic acids Heteroaromatic compounds Alkanesulfonic acids Azacyclic compounds Primary amines Primary alcohols Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | 1,2-dichlorobenzene - Aminotriazine - Aryl chloride - Aryl halide - 1,2,4-triazine - Imidolactam - Triazine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Azacycle - Organoheterocyclic compound - Primary amine - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. |
| External Descriptors | Not available |
| Solubilidad | Solvent:water, Max Conc. mg/mL: 38.22, Max Conc. mM: 100 with gentle warming |
|---|---|
| Peso molecular | 382.200 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 381.007 Da |
| Monoisotopic Mass | 381.007 Da |
| Topological Polar Surface Area | 174.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 359.000 |
| 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 | 2 |
