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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2-Methyl-5-(trifluoromethyl)benzoic acid - ≥97% , CAS No.13055-63-5
Synonyms
STL555514 | CL8054 | 2-methyl-5-trifluoromethylbenzoicacid | EN300-101628 | MFCD01631589 | SCHEMBL710431 | BBL101717 | J-509994 | 2-Methyl-5-trifluoromethylbenzoic acid | AM83997 | 2-Methyl-5-(trifluoromethyl)benzoic acid, AldrichCPR | FT-0651157 | 2-METH
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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 Sinónimos
STL555514 | CL8054 | 2-methyl-5-trifluoromethylbenzoicacid | EN300-101628 | MFCD01631589 | SCHEMBL710431 | BBL101717 | J-509994 | 2-Methyl-5-trifluoromethylbenzoic acid | AM83997 | 2-Methyl-5-(trifluoromethyl)benzoic acid, AldrichCPR | FT-0651157 | 2-METH
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504761912 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504761912 Sonrisas canónicas CC1=C(C=C(C=C1)C(F)(F)F)C(=O)O IUPAC Name 2-methyl-5-(trifluoromethyl)benzoic acid InChIKey STJUSBSLJXOSDU-UHFFFAOYSA-N INCHI 1S/C9H7F3O2/c1-5-2-3-6(9(10,11)12)4-7(5)8(13)14/h2-4H,1H3,(H,13,14) Isómeros SMILES CC1=C(C=C(C=C1)C(F)(F)F)C(=O)O Peso molecular 204.15 Reaxy-Rn 1876281 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1876281&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 Clase Benzene and substituted derivatives Subclass Trifluoromethylbenzenes Intermediate Tree Nodes Not available Direct Parent Trifluoromethylbenzenes Alternative Parents Benzoic acids Benzoyl derivatives Toluenes Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Toluene - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound Descripción 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 123-125°C Peso molecular 204.150 g/mol XLogP3 2.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 1 Exact Mass 204.04 Da Monoisotopic Mass 204.04 Da Topological Polar Surface Area 37.300 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 225.000 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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