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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 3-amino-4,5-dichlorobenzoate - ≥95% , CAS No.1250663-38-7
Synonyms
C71987 | Methyl 3-amino-4,5-dichlorobenzoate | MFCD14694721 | AKOS010564564 | DS-16864 | SB79592 | EN300-201893 | AMY28165 | SCHEMBL22081924 | Benzoic acid, 3-amino-4,5-dichloro-, methyl ester | 1250663-38-7 | A928243 | Methyl3-amino-4,5-dichlorobenzoate
Storage
Store at 2-8°C,Protected from light,Argon charged
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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,Protected from light,Argon charged 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
C71987 | Methyl 3-amino-4, 5-dichlorobenzoate | MFCD14694721 | AKOS010564564 | DS-16864 | SB79592 | EN300-201893 | AMY28165 | SCHEMBL22081924 | Benzoic acid, 3-amino-4, 5-dichloro-, methyl ester | 1250663-38-7 | A928243 | Methyl3-amino-4, 5-dichlorobenzoate
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Protected from light, Argon charged
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas COC(=O)C1=CC(=C(C(=C1)Cl)Cl)N IUPAC Name methyl 3-amino-4,5-dichlorobenzoate InChIKey VAEQHZXRVKQYBW-UHFFFAOYSA-N INCHI 1S/C8H7Cl2NO2/c1-13-8(12)4-2-5(9)7(10)6(11)3-4/h2-3H,11H2,1H3 Isómeros SMILES COC(=O)C1=CC(=C(C(=C1)Cl)Cl)N Peso molecular 220.05 Reaxy-Rn 36268429 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36268429&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 Benzoic acid esters Alternative Parents Aminobenzoic acids and derivatives 4-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Dichlorobenzenes Benzoyl derivatives Aniline and substituted anilines Aryl chlorides Methyl esters Amino acids and derivatives Primary amines Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Aminobenzoic acid or derivatives - Benzoate ester - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Organochloride - Organohalogen compound - Primary amine - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. 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 220.050 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 218.985 Da Monoisotopic Mass 218.985 Da Topological Polar Surface Area 52.300 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 201.000 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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