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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-chloro-4-(trifluoromethyl)benzoic acid - ≥97% , CAS No.115754-20-6
Synonyms
F19988 | EN300-154834 | Chloro-4-(trifluoromethyl)benzoic acid | 3-chloro-4-(trifluoromethyl)benzoicacid | JS-4829 | ACMC-1C5TN | 3-chloro-4-(trifluoromethyl)benzoic acid | AKOS015956910 | MFCD04972755 | PB47190 | 3-Chloro-4-(trifluoromethyl)benzoic acid,
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
F19988 | EN300-154834 | Chloro-4-(trifluoromethyl)benzoic acid | 3-chloro-4-(trifluoromethyl)benzoicacid | JS-4829 | ACMC-1C5TN | 3-chloro-4-(trifluoromethyl)benzoic acid | AKOS015956910 | MFCD04972755 | PB47190 | 3-Chloro-4-(trifluoromethyl)benzoic acid,
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles C1=CC(=C(C=C1C(=O)O)Cl)C(F)(F)F IUPAC Name 3-chloro-4-(trifluoromethyl)benzoic acid InChIKey UDXPRKSPAZWHQN-UHFFFAOYSA-N INCHI 1S/C8H4ClF3O2/c9-6-3-4(7(13)14)1-2-5(6)8(10,11)12/h1-3H,(H,13,14) Isomeric SMILES C1=CC(=C(C=C1C(=O)O)Cl)C(F)(F)F Molecular Weight 224.57 Reaxy-Rn 22842638 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22842638&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Trifluoromethylbenzenes Intermediate Tree Nodes Not available Direct Parent Trifluoromethylbenzenes Alternative Parents Halobenzoic acids 3-halobenzoic acids Benzoic acids Benzoyl derivatives Chlorobenzenes Aryl chlorides Carboxylic acids Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents 3-halobenzoic acid or derivatives - Trifluoromethylbenzene - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Hydrocarbon derivative - Organofluoride - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organic oxygen compound - Organochloride - Organohalogen 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 Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 224.560 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 1 Exact Mass 223.985 Da Monoisotopic Mass 223.985 Da Topological Polar Surface Area 37.300 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 229.000 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
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