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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-Bromo-2,5,6-trimethoxybenzoic Acid - ≥97% , CAS No.101460-22-4
Synonyms
A903093 | Benzoic acid, 3-bromo-2,5,6-trimethoxy- | SR-01000307919-1 | YHDRAWVCUZZYCU-UHFFFAOYSA- | SR-01000307919 | T70011 | AM20020083 | 12W-0890 | MFCD00191620 | SCHEMBL7827643 | InChI=1/C10H11BrO5/c1-14-6-4-5(11)8(15-2)7(10(12)13)9(6)16-3/h4H,1-3H3,(H
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C 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
A903093 | Benzoic acid, 3-bromo-2, 5, 6-trimethoxy- | SR-01000307919-1 | YHDRAWVCUZZYCU-UHFFFAOYSA- | SR-01000307919 | T70011 | AM20020083 | 12W-0890 | MFCD00191620 | SCHEMBL7827643 | InChI=1/C10H11BrO5/c1-14-6-4-5(11)8(15-2)7(10(12)13)9(6)16-3/h4H, 1-3H3, (H
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
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 Pubchem Sid 504759589 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504759589 Sonrisas canónicas COC1=CC(=C(C(=C1OC)C(=O)O)OC)Br IUPAC Name 3-bromo-2,5,6-trimethoxybenzoic acid InChIKey YHDRAWVCUZZYCU-UHFFFAOYSA-N INCHI 1S/C10H11BrO5/c1-14-6-4-5(11)8(15-2)7(10(12)13)9(6)16-3/h4H,1-3H3,(H,12,13) Isómeros SMILES COC1=CC(=C(C(=C1OC)C(=O)O)OC)Br Peso molecular 291.1 Reaxy-Rn 3550014 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3550014&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 O-methoxybenzoic acids and derivatives Alternative Parents M-methoxybenzoic acids and derivatives 3-halobenzoic acids Halobenzoic acids Benzoic acids Methoxybenzenes Benzoyl derivatives Phenoxy compounds Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organobromides Molecular Framework Aromatic homomonocyclic compounds Substituents M-methoxybenzoic acid or derivatives - O-methoxybenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Methoxybenzene - Anisole - Phenol ether - Benzoyl - Phenoxy compound - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organobromide - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 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 Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 96 °C Peso molecular 291.090 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 289.979 Da Monoisotopic Mass 289.979 Da Topological Polar Surface Area 65.000 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 247.000 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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