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· · COA & SDS available for every product · Same-day shipping on in-stock items 3'-Bromo-4'-methylacetophenone - ≥98%(GC) , CAS No.40180-80-1
Synonyms
Boronicacid,(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)-(9CI) | DTXSID90391313 | 3 inverted exclamation mark -Bromo-4 inverted exclamation mark -methylacetophenone | 3'-Bromo-4'-methylacetophenone | AKOS015913125 | B4758 | EN300-85842 | AS-40385 |
Storage
Room temperature,Argon charged
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Why this grade ≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Argon charged 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
Boronicacid,(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)-(9CI) | DTXSID90391313 | 3 inverted exclamation mark -Bromo-4 inverted exclamation mark -methylacetophenone | 3'-Bromo-4'-methylacetophenone | AKOS015913125 | B4758 | EN300-85842 | AS-40385 |
Specifications & Purity
≥98%(GC)
Storage
Room temperature,Argon charged
Names and Identifiers Pubchem Sid 488194355 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488194355 Canonical Smiles CC1=C(C=C(C=C1)C(=O)C)Br IUPAC Name 1-(3-bromo-4-methylphenyl)ethanone InChIKey PDJLFESXPVLVMR-UHFFFAOYSA-N INCHI 1S/C9H9BrO/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5H,1-2H3 Isomeric SMILES CC1=C(C=C(C=C1)C(=O)C)Br WGK Germany 3 Molecular Weight 213.07 Reaxy-Rn 2206040 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2206040&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 Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Acetophenones Benzoyl derivatives Aryl alkyl ketones Toluenes Bromobenzenes Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Acetophenone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Toluene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in Methanol Sensitivity air sensitive Boil Point(°C) 118°C/3mmHg(lit.) Melt Point(°C) 44 °C Molecular Weight 213.070 g/mol XLogP3 2.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 1 Exact Mass 211.984 Da Monoisotopic Mass 211.984 Da Topological Polar Surface Area 17.100 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 156.000 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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