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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3,5-Dimethoxybenzoic Acid - ≥99% , CAS No.1132-21-4
Synonyms
NSC 43744 | FT-0614640 | Z104476958 | 3,5-dimethoxy benzoic acid | NSC43744 | NSC-43744 | SY005660 | Benzoic acid, 3,5-dimethoxy- | BS-3988 | CHEBI:142601 | AI3-52341 | SCHEMBL503889 | EN300-20119 | InChI=1/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1
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Why this grade ≥99% 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
NSC 43744 | FT-0614640 | Z104476958 | 3, 5-dimethoxy benzoic acid | NSC43744 | NSC-43744 | SY005660 | Benzoic acid, 3, 5-dimethoxy- | BS-3988 | CHEBI:142601 | AI3-52341 | SCHEMBL503889 | EN300-20119 | InChI=1/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H, 1
Especificaciones y pureza
≥99%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488181978 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488181978 Sonrisas canónicas COC1=CC(=CC(=C1)C(=O)O)OC IUPAC Name 3,5-dimethoxybenzoic acid InChIKey IWPZKOJSYQZABD-UHFFFAOYSA-N INCHI 1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11) Isómeros SMILES COC1=CC(=CC(=C1)C(=O)O)OC WGK Alemania 3 Peso molecular 182.17 Beilstein 511834 Reaxy-Rn 511834 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=511834&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 Methoxybenzoic acids and derivatives Direct Parent M-methoxybenzoic acids and derivatives Alternative Parents Dimethoxybenzenes Benzoic acids Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents M-methoxybenzoic acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. 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 Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 182.0-187.0°C Peso molecular 182.170 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 182.058 Da Monoisotopic Mass 182.058 Da Topological Polar Surface Area 55.800 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 168.000 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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