≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CC1=C(C=C(C=C1I)Cl)N |
|---|---|
| IUPAC Name | 5-chloro-3-iodo-2-methylaniline |
| InChIKey | HQLVDQVRDDXAPF-UHFFFAOYSA-N |
| INCHI | 1S/C7H7ClIN/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,10H2,1H3 |
| Isomeric SMILES | CC1=C(C=C(C=C1I)Cl)N |
| Molecular Weight | 267.5 |
| Reaxy-Rn | 15603582 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15603582&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 |
| Class | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminotoluenes |
| Alternative Parents | Aniline and substituted anilines Iodobenzenes Chlorobenzenes Aryl iodides Aryl chlorides Primary amines Organopnictogen compounds Organoiodides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminotoluene - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Iodobenzene - Aryl chloride - Aryl halide - Aryl iodide - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - Organoiodide - Organonitrogen compound - Primary amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group. |
| External Descriptors | Not available |
| Molecular Weight | 267.490 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 266.931 Da |
| Monoisotopic Mass | 266.931 Da |
| Topological Polar Surface Area | 26.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 120.000 |
| 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 |
