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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-(Trifluoromethyl)cinnamic acid, predominantly trans - ≥98% , CAS No.779-89-5
Synonyms
Q27128532 | EINECS 267-126-8 | KSBWHDDGWSYETA-SNAWJCMRSA- | 3-(3-(Trifluoromethyl)phenyl)acrylic acid | meta-(trifluoromethyl)cinnamic acid | MFCD00004393 | BCP22719 | (E)-m-(Trifluoromethyl)cinnamic acid | CK2546 | m-(trifluoromethyl)cinnamic acid | 3-(3
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Why this grade ≥98% 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
Q27128532 | EINECS 267-126-8 | KSBWHDDGWSYETA-SNAWJCMRSA- | 3-(3-(Trifluoromethyl)phenyl)acrylic acid | meta-(trifluoromethyl)cinnamic acid | MFCD00004393 | BCP22719 | (E)-m-(Trifluoromethyl)cinnamic acid | CK2546 | m-(trifluoromethyl)cinnamic acid | 3-(3
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488191229 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488191229 Canonical Smiles C1=CC(=CC(=C1)C(F)(F)F)C=CC(=O)O IUPAC Name (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid InChIKey KSBWHDDGWSYETA-SNAWJCMRSA-N INCHI 1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+ Isomeric SMILES C1=CC(=CC(=C1)C(F)(F)F)/C=C/C(=O)O WGK Germany 3 PubChem CID 719451 Molecular Weight 216.16 Reaxy-Rn 2504993
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 Phenylpropanoids and polyketides Class Cinnamic acids and derivatives Subclass Cinnamic acids Intermediate Tree Nodes Not available Direct Parent Cinnamic acids Alternative Parents Trifluoromethylbenzenes Styrenes Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Cinnamic acid - Trifluoromethylbenzene - Styrene - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. External Descriptors (trifluoromethyl)benzenes - styrenes - cinnamic acids 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 Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 135-137°C Molecular Weight 216.160 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 216.04 Da Monoisotopic Mass 216.04 Da Topological Polar Surface Area 37.300 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 258.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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