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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-PHENYLTETRAHYDROPYRAN-4-CARBONITRILE , CAS No.1202-81-9
Synonyms
EN300-37310 | MFCD00085697 | DTXSID20152732 | AS-39417 | SCHEMBL626037 | J-004301 | 4-cyano-4-phenyltetrahydropyran | Z361882916 | 2H-Pyran-4-carbonitrile,tetrahydro-4-phenyl- | 4-Phenyl-tetrahydro-pyran-4-carbonitrile | 4-phenyltetrahydropyran-4-carbonit
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Why this grade 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
EN300-37310 | MFCD00085697 | DTXSID20152732 | AS-39417 | SCHEMBL626037 | J-004301 | 4-cyano-4-phenyltetrahydropyran | Z361882916 | 2H-Pyran-4-carbonitrile, tetrahydro-4-phenyl- | 4-Phenyl-tetrahydro-pyran-4-carbonitrile | 4-phenyltetrahydropyran-4-carbonit
Names and Identifiers Canonical Smiles C1COCCC1(C#N)C2=CC=CC=C2 IUPAC Name 4-phenyloxane-4-carbonitrile InChIKey JQZWMLYXWOBPCV-UHFFFAOYSA-N INCHI 1S/C12H13NO/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5H,6-9H2 Isomeric SMILES C1COCCC1(C#N)C2=CC=CC=C2 PubChem CID 222960 Molecular Weight 187.244
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 Oxanes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Oxanes Alternative Parents Benzene and substituted derivatives Oxacyclic compounds Nitriles Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Benzenoid - Oxane - Monocyclic benzene moiety - Oxacycle - Nitrile - Carbonitrile - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms. 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 187.240 g/mol XLogP3 1.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 187.1 Da Monoisotopic Mass 187.1 Da Topological Polar Surface Area 33.000 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 228.000 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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