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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-Chloro-4,5-dihydroxybenzoic acid - ≥95% , CAS No.87932-49-8
Synonyms
Benzoic acid, 3-chloro-4,5-dihydroxy- | GGUNECQLDCNDDY-UHFFFAOYSA-N | NSC 21187 | SCHEMBL1458206 | MFCD01742816 | 3-Chloro-4,5-dihydroxybenzoicacid | NSC21187 | NSC-21187 | 3-Chloro-4,5-dihydroxybenzoic acid | DS-7518 | W17154 | DTXSID401000328 | AKOS0062
Storage
Store at 2-8°C,Desiccated
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Desiccated Ships Wet ice 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
Benzoic acid, 3-chloro-4, 5-dihydroxy- | GGUNECQLDCNDDY-UHFFFAOYSA-N | NSC 21187 | SCHEMBL1458206 | MFCD01742816 | 3-Chloro-4, 5-dihydroxybenzoicacid | NSC21187 | NSC-21187 | 3-Chloro-4, 5-dihydroxybenzoic acid | DS-7518 | W17154 | DTXSID401000328 | AKOS0062
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Desiccated
Enviado en
Wet ice
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Nombres e identificadores Sonrisas canónicas C1=C(C=C(C(=C1O)O)Cl)C(=O)O IUPAC Name 3-chloro-4,5-dihydroxybenzoic acid InChIKey GGUNECQLDCNDDY-UHFFFAOYSA-N INCHI 1S/C7H5ClO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,9-10H,(H,11,12) Isómeros SMILES C1=C(C=C(C(=C1O)O)Cl)C(=O)O Número NSC NSC Number': ['21187 Peso molecular 188.56 Reaxy-Rn 5428902 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5428902&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 Not available Direct Parent Hydroxybenzoic acid derivatives Alternative Parents 3-halobenzoic acids Halobenzoic acids 3-chlorocatechols Benzoic acids O-chlorophenols M-chlorophenols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organooxygen compounds Organic oxides Organochlorides Molecular Framework Aromatic homomonocyclic compounds Substituents Dihydroxybenzoic acid - Hydroxybenzoic acid - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 3-chlorocatechol - Benzoic acid - Chlorocatechol - Benzoyl - Catechol - 3-halophenol - 2-halophenol - 3-chlorophenol - 2-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl 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 Peso molecular 188.560 g/mol XLogP3 1.700 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 187.988 Da Monoisotopic Mass 187.988 Da Topological Polar Surface Area 77.800 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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