≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,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.
| Pubchem Sid | 504769185 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769185 |
| Canonical Smiles | C1=CC(=C(C=C1CCl)F)C(F)(F)F |
| IUPAC Name | 4-(chloromethyl)-2-fluoro-1-(trifluoromethyl)benzene |
| InChIKey | LBRMEGUZSFQNIT-UHFFFAOYSA-N |
| INCHI | 1S/C8H5ClF4/c9-4-5-1-2-6(7(10)3-5)8(11,12)13/h1-3H,4H2 |
| Isomeric SMILES | C1=CC(=C(C=C1CCl)F)C(F)(F)F |
| Molecular Weight | 212.57 |
| Reaxy-Rn | 14480933 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14480933&ln= |
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 | Benzyl chlorides Fluorobenzenes Aryl fluorides Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides Alkyl chlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Benzyl halide - Benzyl chloride - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alkyl chloride - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 J2323800 | Certificate of Analysis | Sep 12, 2023 | F589148 |
| J2323801 | Certificate of Analysis | Sep 12, 2023 | F589148 |
| J2323802 | Certificate of Analysis | Sep 12, 2023 | F589148 |
| J2323803 | Certificate of Analysis | Sep 12, 2023 | F589148 |
| J2323804 | Certificate of Analysis | Sep 12, 2023 | F589148 |
| J2323805 | Certificate of Analysis | Sep 12, 2023 | F589148 |
| Molecular Weight | 212.570 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 212.002 Da |
| Monoisotopic Mass | 212.002 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 168.000 |
| 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 |
