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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-Benzyloxy-3-trifluoromethylbenzene - ≥98% , CAS No.70097-64-2
Synonyms
PS-7456 | SCHEMBL5025938 | FT-0641265 | KFUXJOLIPMQFEL-UHFFFAOYSA-N | 1-(benzyloxy)-3-(trifluoromethyl)benzene | 1-benzyloxy-3-(trifluoromethyl)benzene | 3-(Benzyloxy)benzotrifluoride | 1-benzyloxy-3-trifluoromethylbenzene | AKOS015888545 | DTXSID50371070
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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
PS-7456 | SCHEMBL5025938 | FT-0641265 | KFUXJOLIPMQFEL-UHFFFAOYSA-N | 1-(benzyloxy)-3-(trifluoromethyl)benzene | 1-benzyloxy-3-(trifluoromethyl)benzene | 3-(Benzyloxy)benzotrifluoride | 1-benzyloxy-3-trifluoromethylbenzene | AKOS015888545 | DTXSID50371070
Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles C1=CC=C(C=C1)COC2=CC=CC(=C2)C(F)(F)F IUPAC Name 1-phenylmethoxy-3-(trifluoromethyl)benzene InChIKey KFUXJOLIPMQFEL-UHFFFAOYSA-N INCHI 1S/C14H11F3O/c15-14(16,17)12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9H,10H2 Isomeric SMILES C1=CC=C(C=C1)COC2=CC=CC(=C2)C(F)(F)F Molecular Weight 252.2 Reaxy-Rn 2281170 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2281170&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 Phenoxy compounds Phenol ethers Alkyl aryl ethers Organofluorides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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 252.230 g/mol XLogP3 4.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 252.076 Da Monoisotopic Mass 252.076 Da Topological Polar Surface Area 9.200 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 246.000 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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