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· · COA & SDS available for every product · Same-day shipping on in-stock items (4S)-5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-ol - ≥97% , CAS No.942195-91-7
Synonyms
SCHEMBL23832310 | (4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol | EX-A4597 | AS-79845 | AKOS014316419 | D95193 | Tegoprazan impurity 12 | (4S)-5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-ol | MFCD15529818 | (S)-5,7-Difluorochroman-4-ol | EN300-2918013
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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
SCHEMBL23832310 | (4S)-5, 7-difluoro-3, 4-dihydro-2H-chromen-4-ol | EX-A4597 | AS-79845 | AKOS014316419 | D95193 | Tegoprazan impurity 12 | (4S)-5, 7-difluoro-3, 4-dihydro-2H-1-benzopyran-4-ol | MFCD15529818 | (S)-5, 7-Difluorochroman-4-ol | EN300-2918013
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles C1COC2=C(C1O)C(=CC(=C2)F)F IUPAC Name (4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol InChIKey HGTYMLFMXKYIQW-ZETCQYMHSA-N INCHI 1S/C9H8F2O2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4,7,12H,1-2H2/t7-/m0/s1 Isomeric SMILES C1COC2=C([C@H]1O)C(=CC(=C2)F)F Alternate CAS 942195-91-7 PubChem CID 64985321 Molecular Weight 186.16
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 Organoheterocyclic compounds Class Benzopyrans Subclass 1-benzopyrans Intermediate Tree Nodes Not available Direct Parent 1-benzopyrans Alternative Parents Alkyl aryl ethers Benzenoids Aryl fluorides Secondary alcohols Oxacyclic compounds Organofluorides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 1-benzopyran - Alkyl aryl ether - Benzenoid - Aryl halide - Aryl fluoride - Secondary alcohol - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alcohol - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. 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 186.150 g/mol XLogP3 1.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 0 Exact Mass 186.049 Da Monoisotopic Mass 186.049 Da Topological Polar Surface Area 29.500 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 188.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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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