≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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=C(C=C(C(=C1C(F)(F)F)F)Cl)I |
|---|---|
| IUPAC Name | 1-chloro-2-fluoro-5-iodo-3-(trifluoromethyl)benzene |
| InChIKey | BLTVLGYWOQCAIF-UHFFFAOYSA-N |
| INCHI | 1S/C7H2ClF4I/c8-5-2-3(13)1-4(6(5)9)7(10,11)12/h1-2H |
| Isomeric SMILES | C1=C(C=C(C(=C1C(F)(F)F)F)Cl)I |
| PubChem CID | 66570715 |
| Molecular Weight | 324.44 |
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 | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Iodobenzenes Fluorobenzenes Chlorobenzenes Aryl iodides Aryl fluorides Aryl chlorides Organoiodides Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Iodobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Aryl iodide - Hydrocarbon derivative - Alkyl fluoride - Alkyl halide - Organoiodide - Organofluoride - Organochloride - Organohalogen compound - 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 |
| Sensitivity | Light sensitive |
|---|---|
| Molecular Weight | 324.440 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 323.883 Da |
| Monoisotopic Mass | 323.883 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 184.000 |
| 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 |
