≥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 | COC1=C(C=CC(=C1)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 1-chloro-2-methoxy-4-(trifluoromethyl)benzene |
| InChIKey | HMFHBKVVYUOVSN-UHFFFAOYSA-N |
| INCHI | 1S/C8H6ClF3O/c1-13-7-4-5(8(10,11)12)2-3-6(7)9/h2-4H,1H3 |
| Isomeric SMILES | COC1=C(C=CC(=C1)C(F)(F)F)Cl |
| PubChem CID | 2773852 |
| Molecular Weight | 210.58 |
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 | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ether - Organofluoride - Organooxygen compound - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Molecular Weight | 210.580 g/mol |
|---|---|
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 210.006 Da |
| Monoisotopic Mass | 210.006 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 171.000 |
| 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 |
A2628315