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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 4-bromo-2-fluoro-6-hydroxybenzoate - ≥98% , CAS No.1193162-18-3
Synonyms
MFCD26391668 | SCHEMBL1041318 | QXWLOFCMJIYTHD-UHFFFAOYSA-N | SY114942 | A892597 | 1193162-18-3 | AKOS022174025 | CL9399 | DTXSID90735970 | Methyl4-bromo-2-fluoro-6-hydroxybenzoate | Benzoic acid, 4-bromo-2-fluoro-6-hydroxy-, methyl ester | Methyl 4-bromo
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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 Sinónimos
MFCD26391668 | SCHEMBL1041318 | QXWLOFCMJIYTHD-UHFFFAOYSA-N | SY114942 | A892597 | 1193162-18-3 | AKOS022174025 | CL9399 | DTXSID90735970 | Methyl4-bromo-2-fluoro-6-hydroxybenzoate | Benzoic acid, 4-bromo-2-fluoro-6-hydroxy-, methyl ester | Methyl 4-bromo
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas COC(=O)C1=C(C=C(C=C1F)Br)O IUPAC Name methyl 4-bromo-2-fluoro-6-hydroxybenzoate InChIKey QXWLOFCMJIYTHD-UHFFFAOYSA-N INCHI 1S/C8H6BrFO3/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,11H,1H3 Isómeros SMILES COC(=O)C1=C(C=C(C=C1F)Br)O Peso molecular 249.03 Reaxy-Rn 19730932 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19730932&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 Benzoic acid esters Direct Parent o-Hydroxybenzoic acid esters Alternative Parents Salicylic acid and derivatives 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzoyl derivatives M-fluorophenols M-bromophenols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Vinylogous acids Vinylogous halides Methyl esters Organic oxides Organobromides Organofluorides Organooxygen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents O-hydroxybenzoic acid ester - Salicylic acid or derivatives - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halophenol - 3-bromophenol - 3-fluorophenol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Fluorobenzene - Bromobenzene - Phenol - Aryl fluoride - Aryl bromide - Aryl halide - Vinylogous acid - Vinylogous halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organobromide - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound Descripción 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 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 Peso molecular 249.030 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 247.948 Da Monoisotopic Mass 247.948 Da Topological Polar Surface Area 46.500 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 200.000 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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