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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino 3-Bromo-4-ethylbenzoic acid - ≥97% , CAS No.99548-53-5
Synonyms
A846043 | DS-17824 | BCP20940 | XUESCTMXEQFNKI-UHFFFAOYSA-N | AKOS015842894 | SCHEMBL3576069 | C77389 | MFCD03819559 | STK681665 | ZDA54853 | EN300-204167 | 3-bromanyl-4-ethyl-benzoic acid | 3-Bromo-4-ethylbenzoicacid | DTXSID70428510 | FT-0659015 | 3-bro
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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.
Specifications Sinonimi
A846043 | DS-17824 | BCP20940 | XUESCTMXEQFNKI-UHFFFAOYSA-N | AKOS015842894 | SCHEMBL3576069 | C77389 | MFCD03819559 | STK681665 | ZDA54853 | EN300-204167 | 3-bromanyl-4-ethyl-benzoic acid | 3-Bromo-4-ethylbenzoicacid | DTXSID70428510 | FT-0659015 | 3-bro
Condizioni di conservazione di stoccaggio
Room temperature
Nomi e identificatori Sorrisi canonici
CCC1=C(C=C(C=C1)C(=O)O)Br
IUPAC Name
3-bromo-4-ethylbenzoic acid
InChIKey
XUESCTMXEQFNKI-UHFFFAOYSA-N
INCHI
1S/C9H9BrO2/c1-2-6-3-4-7(9(11)12)5-8(6)10/h3-5H,2H2,1H3,(H,11,12)
Isomeri SMILES
CCC1=C(C=C(C=C1)C(=O)O)Br
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2613415&ln=
Documentazione 📋 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 Classe Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Halobenzoic acids and derivatives Direct Parent Halobenzoic acids Alternative Parents 3-halobenzoic acids Benzoic acids Benzoyl derivatives Bromobenzenes Aryl bromides Carboxylic acids Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents 3-halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound Descrizione This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring. 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.
Struttura 3D Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Peso molecolare 229.070 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 227.979 Da Monoisotopic Mass 227.979 Da Topological Polar Surface Area 37.300 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 170.000 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
Calcolatori di soluzioni Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
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