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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-bromo-4-fluoro-2-methoxy-5-(propan-2-yl)benzene - ≥97% , CAS No.944317-92-4
Synonyms
1-BROMO-4-FLUORO-5-ISOPROPYL-2-METHOXYBENZENE | AKOS025291311 | DS-7661 | PB11150 | 1-Bromo-4-fluoro-2-methoxy-5-(1-methylethyl)benzene | FT-0720301 | CPPYOHQHPFTBON-UHFFFAOYSA-N | C10H12BrFO | 2-Bromo-4-isopropyl-5-fluoroanisole | SCHEMBL904264 | 1-BROMO
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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 Synonyms
1-BROMO-4-FLUORO-5-ISOPROPYL-2-METHOXYBENZENE | AKOS025291311 | DS-7661 | PB11150 | 1-Bromo-4-fluoro-2-methoxy-5-(1-methylethyl)benzene | FT-0720301 | CPPYOHQHPFTBON-UHFFFAOYSA-N | C10H12BrFO | 2-Bromo-4-isopropyl-5-fluoroanisole | SCHEMBL904264 | 1-BROMO
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CC(C)C1=CC(=C(C=C1F)OC)Br IUPAC Name 1-bromo-4-fluoro-2-methoxy-5-propan-2-ylbenzene InChIKey CPPYOHQHPFTBON-UHFFFAOYSA-N INCHI 1S/C10H12BrFO/c1-6(2)7-4-8(11)10(13-3)5-9(7)12/h4-6H,1-3H3 Isomeric SMILES CC(C)C1=CC(=C(C=C1F)OC)Br Molecular Weight 247.107 Reaxy-Rn 15428479 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15428479&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 Cumenes Intermediate Tree Nodes Not available Direct Parent Cumenes Alternative Parents Phenylpropanes Phenoxy compounds Methoxybenzenes Anisoles Fluorobenzenes Bromobenzenes Alkyl aryl ethers Aryl fluorides Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Cumene - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl halide - Aryl fluoride - Ether - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organobromide - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety. 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 247.100 g/mol XLogP3 3.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 246.006 Da Monoisotopic Mass 246.006 Da Topological Polar Surface Area 9.200 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 163.000 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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