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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 2-amino-4-chlorobenzoate - ≥98% , CAS No.5900-58-3
Synonyms
DTXSID90207743 | Methyl 2-amino-4-chlorobenzoate # | Methyl 2-amino-4-chlorobenzoate | methyl 2-amino4-chlorobenzoate | EN300-16129 | FT-0618167 | L-2-Amino-5-hydroxypentanoic acid | AC-14812 | 3ms9 | Ethyl alpha-isopropylacetoacetate | AKOS000120830 | EI
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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 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 Synonyms
DTXSID90207743 | Methyl 2-amino-4-chlorobenzoate # | Methyl 2-amino-4-chlorobenzoate | methyl 2-amino4-chlorobenzoate | EN300-16129 | FT-0618167 | L-2-Amino-5-hydroxypentanoic acid | AC-14812 | 3ms9 | Ethyl alpha-isopropylacetoacetate | AKOS000120830 | EI
Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles COC(=O)C1=C(C=C(C=C1)Cl)N IUPAC Name methyl 2-amino-4-chlorobenzoate InChIKey YPSSCICDVDOEAI-UHFFFAOYSA-N INCHI 1S/C8H8ClNO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3 Isomeric SMILES COC(=O)C1=C(C=C(C=C1)Cl)N WGK Germany 3 Molecular Weight 185.61 Beilstein 1072895 Reaxy-Rn 1072895 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072895&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 Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acid esters Alternative Parents 4-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous amides Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds Primary amines Molecular Framework Aromatic homomonocyclic compounds Substituents Aminobenzoic acid or derivatives - Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous amide - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - Aromatic homomonocyclic compound Description 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.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 185.610 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 185.024 Da Monoisotopic Mass 185.024 Da Topological Polar Surface Area 52.300 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 174.000 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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