≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Raumtemperatur 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 | 504768625 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768625 |
| Kanonisches Lächeln | C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)Cl |
| IUPAC Name | 4-chloro-3-(trifluoromethoxy)benzoic acid |
| InChIKey | GTBBHPFHWDVWMS-UHFFFAOYSA-N |
| INCHI | 1S/C8H4ClF3O3/c9-5-2-1-4(7(13)14)3-6(5)15-8(10,11)12/h1-3H,(H,13,14) |
| Isomere SMILES | C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)Cl |
| Molekulargewicht | 240.56 |
| Reaxy-Rn | 19800886 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19800886&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 |
| Klasse | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | Halobenzoic acids |
| Alternative Parents | 4-halobenzoic acids Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives Chlorobenzenes Aryl chlorides Trihalomethanes Carboxylic acids Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 4-halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Trihalomethane - Carboxylic acid - Carboxylic acid derivative - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organooxygen compound - Aromatic homomonocyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Datum | Artikel |
|---|---|---|---|
 F2625120 | Certificate of Analysis | Jul 01, 2026 | C195590 |
| J1922183 | Certificate of Analysis | Aug 04, 2023 | C195590 |
| F2313017 | Certificate of Analysis | Jun 26, 2023 | C195590 |
| F2313014 | Certificate of Analysis | Jun 25, 2023 | C195590 |
| Löslichkeit | Sparingly Soluble in water. |
|---|---|
| Schmelzpunkt (°C) | 123-126℃ |
| Molekulargewicht | 240.560 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 239.98 Da |
| Monoisotopic Mass | 239.98 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 244.000 |
| 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 |
