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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-Amino-4-chlorobenzoic Acid - ≥98%(HPLC) , CAS No.2840-28-0
Synonyms
3 -amino-4-chlorobenzoic acid | 3-Amino-4-chlorobenzoic acid, >=98.0% (T) | A819438 | Z104478358 | STK345956 | InChI=1/C7H6ClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11 | MFCD00007671 | F2191-0178 | EC 220-635-9 | NSC211572 | NSC-211572 | UNII-3Q8R4
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Why this grade ≥98%(HPLC) 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
3 -amino-4-chlorobenzoic acid | 3-Amino-4-chlorobenzoic acid, >=98.0% (T) | A819438 | Z104478358 | STK345956 | InChI=1/C7H6ClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H, 9H2, (H, 10, 11 | MFCD00007671 | F2191-0178 | EC 220-635-9 | NSC211572 | NSC-211572 | UNII-3Q8R4
Especificaciones y pureza
≥98%(HPLC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504755025 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504755025 Sonrisas canónicas C1=CC(=C(C=C1C(=O)O)N)Cl IUPAC Name 3-amino-4-chlorobenzoic acid InChIKey DMGFVJVLVZOSOE-UHFFFAOYSA-N INCHI 1S/C7H6ClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11) Isómeros SMILES C1=CC(=C(C=C1C(=O)O)N)Cl Peso molecular 171.58 Beilstein 14412 Reaxy-Rn 2085846 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2085846&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 Aminobenzoic acids and derivatives Direct Parent Aminobenzoic acids Alternative Parents 4-halobenzoic acids Halobenzoic acids Benzoic acids Benzoyl derivatives Aniline and substituted anilines Chlorobenzenes Aryl chlorides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds Primary amines Organooxygen compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Aminobenzoic acid - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Primary amine - Organopnictogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety. 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) 216 °C Peso molecular 171.580 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 171.009 Da Monoisotopic Mass 171.009 Da Topological Polar Surface Area 63.300 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 163.000 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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