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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Aminosalicylic Acid Methyl Ester - ≥97% , CAS No.4136-97-4
Synonyms
4-AMINO-2-HYDROXYBENZOIC ACID METHYLESTER | EN300-177151 | 4-amino-2-hydroxybenzoic acid methyl ester | 4-amino-2-hydroxy-benzoic acid methyl ester | QQOXBFUTRLDXDP-UHFFFAOYSA-N | p-Aminosalicylic acid methyl ester | 3-hydroxy-4-methoxycarbonylaniline | 4
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Why this grade ≥97% 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.
Overview
Methyl 4-aminosalicylate is used as pharmaceutical intermediate.
Specifications Synonyms
4-AMINO-2-HYDROXYBENZOIC ACID METHYLESTER | EN300-177151 | 4-amino-2-hydroxybenzoic acid methyl ester | 4-amino-2-hydroxy-benzoic acid methyl ester | QQOXBFUTRLDXDP-UHFFFAOYSA-N | p-Aminosalicylic acid methyl ester | 3-hydroxy-4-methoxycarbonylaniline | 4
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 488185461 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488185461 Canonical Smiles COC(=O)C1=C(C=C(C=C1)N)O IUPAC Name methyl 4-amino-2-hydroxybenzoate InChIKey QQOXBFUTRLDXDP-UHFFFAOYSA-N INCHI 1S/C8H9NO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,9H2,1H3 Isomeric SMILES COC(=O)C1=C(C=C(C=C1)N)O Molecular Weight 167.18 Reaxy-Rn 972631 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=972631&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 Benzoic acid esters Direct Parent o-Hydroxybenzoic acid esters Alternative Parents Aminosalicylic acids and derivatives Aminobenzoic acids and derivatives m-Aminophenols Aniline and substituted anilines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Primary amines Molecular Framework Aromatic homomonocyclic compounds Substituents O-hydroxybenzoic acid ester - Aminosalicylic acid or derivatives - Salicylic acid or derivatives - Aminobenzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Aminophenol - M-aminophenol - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group. External Descriptors aromatic amine 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Slightly soluble in water. Melt Point(°C) 117-121°C Molecular Weight 167.160 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 167.058 Da Monoisotopic Mass 167.058 Da Topological Polar Surface Area 72.600 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 172.000 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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