≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
application：
4-(Trifluoromethyl)benzoic acid was used in the synthesis of salicylanilide 4-(trifluoromethyl)benzoates via N,N′-dicyclohexylcarbodiimide coupling in dry N,N-dimethylformamide. It was used as internal standard during the ultra trace analysis of fluorinated aromatic carboxylic acids by GC/MS method.
| Pubchem Sid | 488181061 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181061 |
| Canonical Smiles | C1=CC(=CC=C1C(=O)O)C(F)(F)F |
| IUPAC Name | 4-(trifluoromethyl)benzoic acid |
| InChIKey | SWKPKONEIZGROQ-UHFFFAOYSA-N |
| INCHI | 1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13) |
| Isomeric SMILES | C1=CC(=CC=C1C(=O)O)C(F)(F)F |
| WGK Germany | 3 |
| PubChem CID | 9966 |
| Molecular Weight | 190.12 |
| Beilstein | 2049241 |
| Reaxy-Rn | 2049241 |
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 | Benzoic acids Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen 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 | benzoic acids - (trifluoromethyl)benzenes |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D1810117 | Certificate of Analysis | Nov 10, 2025 | T109781 |
| K2130607 | Certificate of Analysis | Sep 09, 2025 | T109781 |
| K2130608 | Certificate of Analysis | Sep 09, 2025 | T109781 |
| K2130609 | Certificate of Analysis | Sep 09, 2025 | T109781 |
| G2503569 | Certificate of Analysis | Jun 16, 2025 | T109781 |
| G2503575 | Certificate of Analysis | Jun 16, 2025 | T109781 |
| G2503576 | Certificate of Analysis | Jun 16, 2025 | T109781 |
| L2524111 | Certificate of Analysis | Jun 16, 2025 | T109781 |
| D2125040 | Certificate of Analysis | Feb 07, 2025 | T109781 |
| L1229019 | Certificate of Analysis | Aug 12, 2024 | T109781 |
| F2415267 | Certificate of Analysis | Mar 23, 2024 | T109781 |
| F2415306 | Certificate of Analysis | Mar 23, 2024 | T109781 |
| I1515008 | Certificate of Analysis | May 08, 2023 | T109781 |
| K2218123 | Certificate of Analysis | Nov 22, 2022 | T109781 |
| K2218083 | Certificate of Analysis | Nov 22, 2022 | T109781 |
| D1810122 | Certificate of Analysis | Feb 21, 2022 | T109781 |
| Solubility | Soluble in water. |
|---|---|
| Melt Point(°C) | 219-220°C |
| Molecular Weight | 190.120 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 190.024 Da |
| Monoisotopic Mass | 190.024 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 192.000 |
| 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. Yingying Liu, Xue Wang, Danyang Zhang, Chen Wang, Haijiao Xie, Hongping Chen, Yunfeng Chai. (2023) Does deprotonated benzoic acid lose carbon monoxide in collision-induced dissociation?. JOURNAL OF MASS SPECTROMETRY, 59 (1): (e4990). [PMID:38146124] [10.1002/jms.4990] |
| 2. Jia Lv, Bingwei He, Jingwen Yu, Yitong Wang, Changping Wang, Song Zhang, Hui Wang, Jingjing Hu, Qiang Zhang, Yiyun Cheng. (2018) Fluoropolymers for intracellular and in vivo protein delivery. BIOMATERIALS, [PMID:30121426] [10.1016/j.biomaterials.2018.08.023] |
| 3. Liu Hongmei, Chang Hong, Lv Jia, Jiang Cong, Li Zhenxi, Wang Fei, Wang Hui, Wang Mingming, Liu Chongyi, Wang Xinyu, Shao Naimin, He Bingwei, Shen Wanwan, Zhang Qiang, Cheng Yiyun. (2016) Screening of efficient siRNA carriers in a library of surface-engineered dendrimers. Scientific Reports, 6 (1): (1-11). [PMID:27121799] [10.1038/srep25069] |
| 4. Chenxu Geng, Aibing Chen, Yuxiu Sun, Chenxu Zhang, Zixian Qin, Zhengqing Zhang, Zhenjie Gu, Zhihua Qiao. (2024) Spacial regulation of precise aperture in metal–organic frameworks towards ultrahigh-selective mixed matrix membranes for low-energy-consumption C3H6/C3H8 separation. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2024.151451] |
| 5. Jingjing Wang, Zhiwei Liu, Liying Wang, Lu Li, Qian Liu, Zhiwei Liu, Zhenzhu Cao, Yongfeng Zhang, Lin Cheng, Jucai Yang. (2024) Photocatalytic activity of (002) crystalline facets for novel Bi-sourced Bi-MOF nanoparticles enhanced degradation of rhodamine B and reduction of hexavalent chromium. JOURNAL OF ALLOYS AND COMPOUNDS, [PMID:] [10.1016/j.jallcom.2024.175424] |
