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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Bromo-2-chloro-5-fluorobenzoic acid - ≥98% , CAS No.177480-81-8
Synonyms
AM20080742 | Benzoic acid, 4-bromo-2-chloro-5-fluoro- | 4-BROMO-2-CHLORO-5-FLUOROBENZOIC ACID | 4-bromo-2-chloro-5-fluoro-benzoic Acid | AKOS015835493 | TZFKKLGCVKORLS-UHFFFAOYSA-N | DTXSID30371215 | DS-1682 | PS-7439 | AC-23749 | MFCD00236589 | Z12692353
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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 Synonyms
AM20080742 | Benzoic acid, 4-bromo-2-chloro-5-fluoro- | 4-BROMO-2-CHLORO-5-FLUOROBENZOIC ACID | 4-bromo-2-chloro-5-fluoro-benzoic Acid | AKOS015835493 | TZFKKLGCVKORLS-UHFFFAOYSA-N | DTXSID30371215 | DS-1682 | PS-7439 | AC-23749 | MFCD00236589 | Z12692353
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488192782 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488192782 Canonical Smiles C1=C(C(=CC(=C1F)Br)Cl)C(=O)O IUPAC Name 4-bromo-2-chloro-5-fluorobenzoic acid InChIKey TZFKKLGCVKORLS-UHFFFAOYSA-N INCHI 1S/C7H3BrClFO2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12) Isomeric SMILES C1=C(C(=CC(=C1F)Br)Cl)C(=O)O Molecular Weight 253.45 Reaxy-Rn 15493111 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15493111&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 Class Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Halobenzoic acids and derivatives Direct Parent Halobenzoic acids Alternative Parents 2-halobenzoic acids 3-halobenzoic acids 4-halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Bromobenzenes Chlorobenzenes Fluorobenzenes Aryl bromides Aryl chlorides Aryl fluorides Vinylogous halides Monocarboxylic acids and derivatives Organobromides Organofluorides Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents 2-halobenzoic acid or derivatives - Halobenzoic acid - 4-halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - 4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Bromobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl halide - Aryl bromide - Aryl chloride - Aryl fluoride - Vinylogous halide - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Aromatic homomonocyclic compound Description 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 253.450 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 251.899 Da Monoisotopic Mass 251.899 Da Topological Polar Surface Area 37.300 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 190.000 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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