≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships FedEx DG Service 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488180400 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180400 |
| Canonical Smiles | C1=CC(=CC(=C1)Cl)C(F)(F)F |
| IUPAC Name | 1-chloro-3-(trifluoromethyl)benzene |
| InChIKey | YTCGOUNVIAWCMG-UHFFFAOYSA-N |
| INCHI | 1S/C7H4ClF3/c8-6-3-1-2-5(4-6)7(9,10)11/h1-4H |
| Isomeric SMILES | C1=CC(=CC(=C1)Cl)C(F)(F)F |
| WGK Germany | 1 |
| UN Number | 2234 |
| Packing Group | III |
| Molecular Weight | 180.55 |
| Reaxy-Rn | 510215 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=510215&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 | Chlorobenzenes Aryl chlorides Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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 |
|---|---|---|---|
 K1911059 | Certificate of Analysis | Aug 11, 2023 | C101738 |
| C2320570 | Certificate of Analysis | Aug 19, 2022 | C101738 |
| C2320571 | Certificate of Analysis | Aug 19, 2022 | C101738 |
| J2222154 | Certificate of Analysis | Aug 19, 2022 | C101738 |
| J2222155 | Certificate of Analysis | Aug 19, 2022 | C101738 |
| J2222156 | Certificate of Analysis | Aug 19, 2022 | C101738 |
| Solubility | Soluble in water <0.1 g/100 mL at 22°C. |
|---|---|
| Refractive Index | 1.446 |
| Flash Point(°F) | 96.8 °F |
| Flash Point(°C) | 36°C |
| Boil Point(°C) | 137-138°C |
| Melt Point(°C) | -56°C |
| Molecular Weight | 180.550 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 179.995 Da |
| Monoisotopic Mass | 179.995 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 132.000 |
| 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 |
| 1. Jiayang Han, Fuxing Zhai, Dingyu Zheng, Lixin Xu, Huijian Ye. (2025) High-temperature energy storage capability of flexible polyimide with the fluorinated pendant group. Journal of Materials Chemistry C, [PMID:] [10.1039/D5TC00285K] |
