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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide , CAS No.302804-90-6
Synonyms
2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide | 2,3,6-trichloro-N-(4H-1,2,4-triazol-3-yl)benzamide | SMR000034234 | Oprea1_331980 | Oprea1_454597 | MLS000027368 | HMS2331L07 | BDBM50225221 | STK644738 | AKOS002276478 | AKOS005575946 | NCGC00018985-01
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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 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
2, 3, 6-trichloro-N-(1H-1, 2, 4-triazol-5-yl)benzamide | 2, 3, 6-trichloro-N-(4H-1, 2, 4-triazol-3-yl)benzamide | SMR000034234 | Oprea1_331980 | Oprea1_454597 | MLS000027368 | HMS2331L07 | BDBM50225221 | STK644738 | AKOS002276478 | AKOS005575946 | NCGC00018985-01
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto Nombres e identificadores Sonrisas canónicas C1=CC(=C(C(=C1Cl)C(=O)NC2=NC=NN2)Cl)Cl IUPAC Name 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide InChIKey KBDDCRNUQDKWIA-UHFFFAOYSA-N INCHI 1S/C9H5Cl3N4O/c10-4-1-2-5(11)7(12)6(4)8(17)15-9-13-3-14-16-9/h1-3H,(H2,13,14,15,16,17) Isómeros SMILES C1=CC(=C(C(=C1Cl)C(=O)NC2=NC=NN2)Cl)Cl PubChem CID 659923 Peso molecular 291.5
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 Clase Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Halobenzoic acids and derivatives Direct Parent 3-halobenzoic acids and derivatives Alternative Parents 2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous halide - 1,2,4-triazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring. 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 291.500 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 289.953 Da Monoisotopic Mass 289.953 Da Topological Polar Surface Area 70.700 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 293.000 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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