| Pubchem Sid | 488183848 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183848 |
| Canonical Smiles | COC1=C(C=C(C=C1)Cl)N |
| IUPAC Name | 5-chloro-2-methoxyaniline |
| InChIKey | WBSMIPLNPSCJFS-UHFFFAOYSA-N |
| INCHI | 1S/C7H8ClNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3 |
| Isomeric SMILES | COC1=C(C=C(C=C1)Cl)N |
| UN Number | 2233 |
| Packing Group | III |
| Molecular Weight | 157.6 |
| Reaxy-Rn | 879161 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=879161&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Aminophenyl ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminophenyl ethers |
| Alternative Parents | Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring. |
| 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 |
|---|---|---|---|
 G2226341 | Certificate of Analysis | May 19, 2026 | C153904 |
| G2226342 | Certificate of Analysis | May 19, 2026 | C153904 |
| G2226343 | Certificate of Analysis | May 19, 2026 | C153904 |
| G1919070 | Certificate of Analysis | May 10, 2023 | C153904 |
| B1912156 | Certificate of Analysis | Dec 07, 2022 | C153904 |
| C2330512 | Certificate of Analysis | Jun 04, 2022 | C153904 |
| C2330516 | Certificate of Analysis | Jun 04, 2022 | C153904 |
| Melt Point(°C) | 82 °C |
|---|---|
| Molecular Weight | 157.600 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 157.029 Da |
| Monoisotopic Mass | 157.029 Da |
| Topological Polar Surface Area | 35.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 110.000 |
| 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 |
