≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1=CC(=C(C=C1OC(F)(F)F)[N+](=O)[O-])Cl |
|---|---|
| IUPAC Name | 1-chloro-2-nitro-4-(trifluoromethoxy)benzene |
| InChIKey | WMEHRJJXMQRTOU-UHFFFAOYSA-N |
| INCHI | 1S/C7H3ClF3NO3/c8-5-2-1-4(15-7(9,10)11)3-6(5)12(13)14/h1-3H |
| Isomeric SMILES | C1=CC(=C(C=C1OC(F)(F)F)[N+](=O)[O-])Cl |
| Alternate CAS | 588-09-0 |
| Molecular Weight | 241.55 |
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 | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrophenyl ethers |
| Alternative Parents | Phenoxy compounds Phenol ethers Nitroaromatic compounds Chlorobenzenes Aryl chlorides Trihalomethanes Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Alkyl fluorides Organic salts Organochlorides Organic oxides Organofluorides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Trihalomethane - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Alkyl fluoride - Alkyl halide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organic salt - Organohalogen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 241.550 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 240.975 Da |
| Monoisotopic Mass | 240.975 Da |
| Topological Polar Surface Area | 55.100 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 243.000 |
| 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 |
