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· · COA & SDS available for every product · Same-day shipping on in-stock items TPA-023B - ≥97% , CAS No.425377-76-0
Synonyms
SCHEMBL1081801 | 2',6-Difluoro-5'-(3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl)-[1,1'-biphenyl]-2-carbonitrile | AS-35138 | 6,2''-Difluoro-5''-[3-(1-hydroxy-1-methyl-ethyl)-imidazo[1,2-b][1,2,4]triazin-7-yl]-biphenyl-2-carbonitrile | 6,2''-d
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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
SCHEMBL1081801 | 2', 6-Difluoro-5'-(3-(2-hydroxypropan-2-yl)imidazo[1, 2-b][1, 2, 4]triazin-7-yl)-[1, 1'-biphenyl]-2-carbonitrile | AS-35138 | 6, 2''-Difluoro-5''-[3-(1-hydroxy-1-methyl-ethyl)-imidazo[1, 2-b][1, 2, 4]triazin-7-yl]-biphenyl-2-carbonitrile | 6, 2''-d
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CC(C)(C1=NC2=NC=C(N2N=C1)C3=CC(=C(C=C3)F)C4=C(C=CC=C4F)C#N)O IUPAC Name 3-fluoro-2-[2-fluoro-5-[3-(2-hydroxypropan-2-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]benzonitrile InChIKey PCZLQMGFNUNVOM-UHFFFAOYSA-N INCHI 1S/C21H15F2N5O/c1-21(2,29)18-11-26-28-17(10-25-20(28)27-18)12-6-7-15(22)14(8-12)19-13(9-24)4-3-5-16(19)23/h3-8,10-11,29H,1-2H3 Isomeric SMILES CC(C)(C1=NC2=NC=C(N2N=C1)C3=CC(=C(C=C3)F)C4=C(C=CC=C4F)C#N)O PubChem CID 9865233 Molecular Weight 391.382
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 Biphenyls and derivatives Intermediate Tree Nodes Not available Direct Parent Biphenylcarbonitriles Alternative Parents Phenylimidazoles Imidazo[1,2-a][1,2,4]triazines Benzonitriles Fluorobenzenes N-substituted imidazoles Aryl fluorides 1,2,4-triazines Tertiary alcohols Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols Molecular Framework Aromatic heteropolycyclic compounds Substituents Biphenylcarbonitrile - 4-phenylimidazole - 5-phenylimidazole - Imidazo[1,2-a][1,2,4]triazine - Benzonitrile - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 1,2,4-triazine - Triazine - N-substituted imidazole - Azole - Heteroaromatic compound - Tertiary alcohol - Imidazole - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group. 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 Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 391.400 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 3 Exact Mass 391.124 Da Monoisotopic Mass 391.124 Da Topological Polar Surface Area 87.100 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 640.000 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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