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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-(2H-1,2,3-Triazol-4-yl)benzonitrile - ≥95% , CAS No.550364-01-7
Synonyms
FS-3754 | Benzonitrile, 3-(1H-1,2,3-triazol-4-yl)- | AKOS016010298 | 3-(1H-1,2,3-TRIAZOL-4-YL)BENZONITRILEAND3-(2H-1,2,3-TRIAZOL-4-YL)BENZONITRILE | MFCD08275073 | BDBM50391365 | DS-2806 | AKOS024015906 | 3-(2H-1,2,3-Triazol-4-yl)benzonitrile | DTXSID9046
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Why this grade ≥95% 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 Sinónimos
FS-3754 | Benzonitrile, 3-(1H-1, 2, 3-triazol-4-yl)- | AKOS016010298 | 3-(1H-1, 2, 3-TRIAZOL-4-YL)BENZONITRILEAND3-(2H-1, 2, 3-TRIAZOL-4-YL)BENZONITRILE | MFCD08275073 | BDBM50391365 | DS-2806 | AKOS024015906 | 3-(2H-1, 2, 3-Triazol-4-yl)benzonitrile | DTXSID9046
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas C1=CC(=CC(=C1)C2=NNN=C2)C#N IUPAC Name 3-(2H-triazol-4-yl)benzonitrile InChIKey WTEOJKCYXGSBQC-UHFFFAOYSA-N INCHI 1S/C9H6N4/c10-5-7-2-1-3-8(4-7)9-6-11-13-12-9/h1-4,6H,(H,11,12,13) Isómeros SMILES C1=CC(=CC(=C1)C2=NNN=C2)C#N Peso molecular 170.17 Reaxy-Rn 37209423 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37209423&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 Organoheterocyclic compounds Clase Azoles Subclass Triazoles Intermediate Tree Nodes Phenyltriazoles Direct Parent Phenyl-1,2,3-triazoles Alternative Parents Benzonitriles Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenyl-1,2,3-triazole - Benzonitrile - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 170.170 g/mol XLogP3 1.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 170.059 Da Monoisotopic Mass 170.059 Da Topological Polar Surface Area 65.400 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 219.000 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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