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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-(3-Trifluoromethylphenyl)ethyl bromide - ≥98% , CAS No.59770-96-6
Synonyms
3-(1-Bromoethyl)benzotrifluoride | 3-(1-bromoethyl)benzotrifluoride, AldrichCPR | alpha -Methyl-3-trifluoromethylbenzyl bromide | SCHEMBL215226 | DTXSID80975181 | DS-16422 | a-methyl-3-trifluoromethylbenzylbromide | ALFA-METHYL-3-(TRIFLUOROMETHYL)BENZYL B
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged Ships Wet ice 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
3-(1-Bromoethyl)benzotrifluoride | 3-(1-bromoethyl)benzotrifluoride, AldrichCPR | alpha -Methyl-3-trifluoromethylbenzyl bromide | SCHEMBL215226 | DTXSID80975181 | DS-16422 | a-methyl-3-trifluoromethylbenzylbromide | ALFA-METHYL-3-(TRIFLUOROMETHYL)BENZYL B
Specifications & Purity
≥98%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC(C1=CC(=CC=C1)C(F)(F)F)Br IUPAC Name 1-(1-bromoethyl)-3-(trifluoromethyl)benzene InChIKey AJBWDFPJLDDEPQ-UHFFFAOYSA-N INCHI 1S/C9H8BrF3/c1-6(10)7-3-2-4-8(5-7)9(11,12)13/h2-6H,1H3 Isomeric SMILES CC(C1=CC(=CC=C1)C(F)(F)F)Br Alternate CAS 68120-41-2 Molecular Weight 253.1 Reaxy-Rn 2261498 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2261498&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 Trifluoromethylbenzenes Intermediate Tree Nodes Not available Direct Parent Trifluoromethylbenzenes Alternative Parents Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides Molecular Framework Aromatic homomonocyclic compounds Substituents Trifluoromethylbenzene - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alkyl bromide - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. 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 253.060 g/mol XLogP3 3.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 251.976 Da Monoisotopic Mass 251.976 Da Topological Polar Surface Area 0.000 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 167.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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