≥97% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488200598 |
|---|---|
| Canonical Smiles | C1=CC(=CC=C1C(=O)[O-])C(F)(F)F.[Na+] |
| IUPAC Name | sodium;4-(trifluoromethyl)benzoate |
| InChIKey | MXBWCDKXDWFHJM-UHFFFAOYSA-M |
| INCHI | 1S/C8H5F3O2.Na/c9-8(10,11)6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13);/q;+1/p-1 |
| Isomeric SMILES | C1=CC(=CC=C1C(=O)[O-])C(F)(F)F.[Na+] |
| PubChem CID | 23717385 |
| Molecular Weight | 212.1 |
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 Carboxylic acid salts Organic metal halides Carboxylic acids Organooxygen compounds Organofluorides Organic sodium salts Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Alkyl fluoride - Organic salt - Organic sodium salt - Organic oxygen compound - Organic cation - 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 |
|---|---|---|---|
 E2304380 | Certificate of Analysis | Feb 04, 2026 | S192358 |
| E2304384 | Certificate of Analysis | Feb 04, 2026 | S192358 |
| E2304387 | Certificate of Analysis | Feb 04, 2026 | S192358 |
| K2208569 | Certificate of Analysis | Aug 12, 2025 | S192358 |
| K2208580 | Certificate of Analysis | Aug 12, 2025 | S192358 |
| K2208582 | Certificate of Analysis | Aug 12, 2025 | S192358 |
| K2208623 | Certificate of Analysis | Aug 12, 2025 | S192358 |
| Molecular Weight | 212.100 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 212.006 Da |
| Monoisotopic Mass | 212.006 Da |
| Topological Polar Surface Area | 40.100 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 197.000 |
| 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 | 2 |
