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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3,4-Difluoro-2-methylbenzoic acid - ≥97% , CAS No.157652-31-8
Synonyms
AGUUCAUQWFAFPR-UHFFFAOYSA-N | AKOS005255149 | 3,4-Difluoro-2-methylbenzoicacid | 3,4-Difluoro-2-methylbenzoic acid | 3,4-Difluoro-2-methyl-benzoic acid | MFCD07777153 | BBL103265 | STL557075 | SY110167 | A3468 | AC-26932 | GS-3670 | W-201423 | SCHEMBL1071
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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
AGUUCAUQWFAFPR-UHFFFAOYSA-N | AKOS005255149 | 3, 4-Difluoro-2-methylbenzoicacid | 3, 4-Difluoro-2-methylbenzoic acid | 3, 4-Difluoro-2-methyl-benzoic acid | MFCD07777153 | BBL103265 | STL557075 | SY110167 | A3468 | AC-26932 | GS-3670 | W-201423 | SCHEMBL1071
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504766927 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504766927 Sonrisas canónicas CC1=C(C=CC(=C1F)F)C(=O)O IUPAC Name 3,4-difluoro-2-methylbenzoic acid InChIKey AGUUCAUQWFAFPR-UHFFFAOYSA-N INCHI 1S/C8H6F2O2/c1-4-5(8(11)12)2-3-6(9)7(4)10/h2-3H,1H3,(H,11,12) Isómeros SMILES CC1=C(C=CC(=C1F)F)C(=O)O Peso molecular 172.13 Reaxy-Rn 14356850 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14356850&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 Benzoic acids and derivatives Intermediate Tree Nodes Halobenzoic acids and derivatives Direct Parent Halobenzoic acids Alternative Parents 4-halobenzoic acids 3-halobenzoic acids Benzoic acids Benzoyl derivatives Toluenes Fluorobenzenes Aryl fluorides Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Halobenzoic acid - 4-halobenzoic acid - 3-halobenzoic acid - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - Toluene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound Descripción 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 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) 152-156°C Peso molecular 172.130 g/mol XLogP3 2.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 172.034 Da Monoisotopic Mass 172.034 Da Topological Polar Surface Area 37.300 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 184.000 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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