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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-(Trifluoromethoxy)cinnamic Acid - ≥98% , CAS No.168833-80-5
Synonyms
(E)-3-(3-trifluoromethoxy-phenyl)-acrylic acid | 3-[3-(trifluoromethoxy)phenyl]prop-2-enoic Acid | 2-Propenoic acid, 3-[3-(trifluoromethoxy)phenyl]-, (2E)- | 3-(3-(Trifluoromethoxy)phenyl)acrylic acid | T1780 | CK2540 | (2E)-3-[3-(trifluoromethoxy)phenyl]
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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 Sinónimos
(E)-3-(3-trifluoromethoxy-phenyl)-acrylic acid | 3-[3-(trifluoromethoxy)phenyl]prop-2-enoic Acid | 2-Propenoic acid, 3-[3-(trifluoromethoxy)phenyl]-, (2E)- | 3-(3-(Trifluoromethoxy)phenyl)acrylic acid | T1780 | CK2540 | (2E)-3-[3-(trifluoromethoxy)phenyl]
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488191306 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488191306 Sonrisas canónicas C1=CC(=CC(=C1)OC(F)(F)F)C=CC(=O)O IUPAC Name (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoic acid InChIKey CLKZZEYGXRWYNI-SNAWJCMRSA-N INCHI 1S/C10H7F3O3/c11-10(12,13)16-8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+ Isómeros SMILES C1=CC(=CC(=C1)OC(F)(F)F)/C=C/C(=O)O WGK Alemania 3 PubChem CID 735840 Peso molecular 232.16 Reaxy-Rn 9849896
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 Clase Cinnamic acids and derivatives Subclass Hydroxycinnamic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Coumaric acids and derivatives Alternative Parents Cinnamic acids Styrenes Phenoxy compounds Phenol ethers Trihalomethanes Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Cinnamic acid - Coumaric acid or derivatives - Phenoxy compound - Styrene - Phenol ether - Monocyclic benzene moiety - Benzenoid - Trihalomethane - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de inflamación (°F) 127℃ Punto de inflamación (°C) 127℃ Punto de ebullición (°C) 286℃ Punto de fusión (°C) 92-96°C(lit.) Peso molecular 232.160 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 3 Exact Mass 232.035 Da Monoisotopic Mass 232.035 Da Topological Polar Surface Area 46.500 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 273.000 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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