≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Room temperature,Argon charged 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=CC(=CC(=C1O)Br)Cl |
|---|---|
| IUPAC Name | 2-bromo-4-chloro-6-methylphenol |
| InChIKey | AAIDNHOUZKFBTC-UHFFFAOYSA-N |
| INCHI | 1S/C7H6BrClO/c1-4-2-5(9)3-6(8)7(4)10/h2-3,10H,1H3 |
| Isomeric SMILES | CC1=CC(=CC(=C1O)Br)Cl |
| PubChem CID | 613789 |
| Molecular Weight | 221.48 |
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 | Phenols |
| Subclass | Cresols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Ortho cresols |
| Alternative Parents | P-chlorophenols O-bromophenols Toluenes Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Organooxygen compounds Organochlorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 4-halophenol - 2-halophenol - 2-bromophenol - O-cresol - 4-chlorophenol - Halobenzene - Chlorobenzene - Bromobenzene - Toluene - Aryl chloride - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Organooxygen compound - Organochloride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively. |
| External Descriptors | Not available |
| Molecular Weight | 221.480 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 219.929 Da |
| Monoisotopic Mass | 219.929 Da |
| Topological Polar Surface Area | 20.200 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 |
K2525386