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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-Bromo-4-methoxybenzoic Acid - ≥98%(HPLC) , CAS No.99-58-1
Synonyms
3-Bromo-p-anisic acid | EINECS 202-768-4 | EN300-13436 | STL062218 | B3336 | TS-03286 | AC-26009 | DTXSID00243930 | AB01331707-02 | AKOS000111369 | Z57663652 | AM83030 | BBPZABXVRBFWGD-UHFFFAOYSA-N | 3-Bromo-4-methoxybenzoic acid | 3-bromo-4-methoxy-benzo
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Why this grade ≥98%(HPLC) 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
3-Bromo-p-anisic acid | EINECS 202-768-4 | EN300-13436 | STL062218 | B3336 | TS-03286 | AC-26009 | DTXSID00243930 | AB01331707-02 | AKOS000111369 | Z57663652 | AM83030 | BBPZABXVRBFWGD-UHFFFAOYSA-N | 3-Bromo-4-methoxybenzoic acid | 3-bromo-4-methoxy-benzo
Especificaciones y pureza
≥98%(HPLC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488183863 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488183863 Sonrisas canónicas COC1=C(C=C(C=C1)C(=O)O)Br IUPAC Name 3-bromo-4-methoxybenzoic acid InChIKey BBPZABXVRBFWGD-UHFFFAOYSA-N INCHI 1S/C8H7BrO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11) Isómeros SMILES COC1=C(C=C(C=C1)C(=O)O)Br WGK Alemania 3 Peso molecular 231.05 Beilstein 10(4)471 Reaxy-Rn 2087585 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2087585&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 P-methoxybenzoic acids and derivatives Alternative Parents Halobenzoic acids 3-halobenzoic acids Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents P-methoxybenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 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) 220-225 °C Peso molecular 231.040 g/mol XLogP3 2.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 229.958 Da Monoisotopic Mass 229.958 Da Topological Polar Surface Area 46.500 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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