| Canonical Smiles | C1=C(C=C(C(=C1N)Cl)F)F |
|---|---|
| IUPAC Name | 2-chloro-3,5-difluoroaniline |
| InChIKey | XDHOQZCRADUDRI-UHFFFAOYSA-N |
| INCHI | 1S/C6H4ClF2N/c7-6-4(9)1-3(8)2-5(6)10/h1-2H,10H2 |
| Isomeric SMILES | C1=C(C=C(C(=C1N)Cl)F)F |
| PubChem CID | 2736494 |
| Molecular Weight | 163.55 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Aniline and substituted anilines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aniline and substituted anilines |
| Alternative Parents | Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Primary amines Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aniline or substituted anilines - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Amine - Organochloride - Organohalogen compound - Organofluoride - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2524289 | Certificate of Analysis | Dec 13, 2024 | C700018 |
| F2524291 | Certificate of Analysis | Dec 13, 2024 | C700018 |
| F2524293 | Certificate of Analysis | Dec 13, 2024 | C700018 |
| F2524301 | Certificate of Analysis | Dec 13, 2024 | C700018 |
| F2524302 | Certificate of Analysis | Dec 13, 2024 | C700018 |
| F2524303 | Certificate of Analysis | Dec 13, 2024 | C700018 |
| Sensitivity | Light sensitive |
|---|---|
| Melt Point(°C) | 26-28 |
| Molecular Weight | 163.550 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 163 Da |
| Monoisotopic Mass | 163 Da |
| Topological Polar Surface Area | 26.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 122.000 |
| 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 |
