≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)N |
|---|---|
| IUPAC Name | 4-chloro-6-phenyl-1,3,5-triazin-2-amine |
| InChIKey | UTSOANOTPZSYJK-UHFFFAOYSA-N |
| INCHI | 1S/C9H7ClN4/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H2,11,12,13,14) |
| Isomeric SMILES | C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)N |
| WGK Germany | 3 |
| Molecular Weight | 206.63 |
| Reaxy-Rn | 643157 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=643157&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 | Triazines |
| Subclass | Aminotriazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminotriazines |
| Alternative Parents | Chloro-s-triazines Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Amino-1,3,5-triazine - Chloro-s-triazine - Halo-s-triazine - Aminotriazine - Aryl chloride - 1,3,5-triazine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Amine - Organochloride - Organohalogen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminotriazines. These are organic compounds containing an amino group attached to a triazine ring. |
| External Descriptors | Not available |
| Molecular Weight | 206.630 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 206.036 Da |
| Monoisotopic Mass | 206.036 Da |
| Topological Polar Surface Area | 64.700 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 184.000 |
| 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 |
