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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 4,5-Dichloro-2-fluorobenzoic acid - ≥98% , CAS No.289039-49-2
Synonyms
J-514081 | Benzoicacid, 4,5-dichloro-2-fluoro- | DTXSID30378840 | SY030903 | AC-26036 | FT-0649391 | MFCD00672988 | SCHEMBL14331830 | A20282 | AKOS015850096 | PS-8030 | Benzoic acid, 4,5-dichloro-2-fluoro- | CK1083 | XFOJZPTYJMXNKK-UHFFFAOYSA-N | 4,5-dich
Storage
Room temperature,Desiccated,Cool
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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,Desiccated,Cool 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
J-514081 | Benzoicacid, 4, 5-dichloro-2-fluoro- | DTXSID30378840 | SY030903 | AC-26036 | FT-0649391 | MFCD00672988 | SCHEMBL14331830 | A20282 | AKOS015850096 | PS-8030 | Benzoic acid, 4, 5-dichloro-2-fluoro- | CK1083 | XFOJZPTYJMXNKK-UHFFFAOYSA-N | 4, 5-dich
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature, Desiccated, Cool
Nombres e identificadores Sonrisas canónicas C1=C(C(=CC(=C1Cl)Cl)F)C(=O)O IUPAC Name 4,5-dichloro-2-fluorobenzoic acid InChIKey XFOJZPTYJMXNKK-UHFFFAOYSA-N INCHI 1S/C7H3Cl2FO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,(H,11,12) Isómeros SMILES C1=C(C(=CC(=C1Cl)Cl)F)C(=O)O Peso molecular 209.00 Reaxy-Rn 27041358 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27041358&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 Benzoic acids Direct Parent Dichlorobenzoic acids Alternative Parents 2-halobenzoic acids 3-halobenzoic acids 4-halobenzoic acids Halobenzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Dichlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Organochlorides Organofluorides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents 3,4-dichlorobenzoic acid - Halobenzoic acid - 4-halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - 1,2-dichlorobenzene - 1-carboxy-2-haloaromatic compound - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl chloride - Aryl halide - Vinylogous halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as dichlorobenzoic acids. These are benzoic acids having two chlorine atoms attached to the carboxylated 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 Peso molecular 209.000 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 207.949 Da Monoisotopic Mass 207.949 Da Topological Polar Surface Area 37.300 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 188.000 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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