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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2-chloro-4-(1H-pyrazol-3-yl)benzonitrile - ≥97% , CAS No.1297537-37-1
Synonyms
EC 941-761-7 | SCHEMBL1810795 | W15033 | 1297537-37-1 | BCINLNFBTLIGBU-UHFFFAOYSA-N | 2-Chloro-4-(1H-pyrazol-3-yl)benzonitrile | 2-chloro-4-(1h-pyrazol-3-yl)-benzonitrile | AS-64711 | AKOS037645898 | DTXSID201275822 | 2-Chloro-4-(3-pyrazolyl)benzonitrile
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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 Sinónimos
EC 941-761-7 | SCHEMBL1810795 | W15033 | 1297537-37-1 | BCINLNFBTLIGBU-UHFFFAOYSA-N | 2-Chloro-4-(1H-pyrazol-3-yl)benzonitrile | 2-chloro-4-(1h-pyrazol-3-yl)-benzonitrile | AS-64711 | AKOS037645898 | DTXSID201275822 | 2-Chloro-4-(3-pyrazolyl)benzonitrile
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas C1=CC(=C(C=C1C2=CC=NN2)Cl)C#N IUPAC Name 2-chloro-4-(1H-pyrazol-5-yl)benzonitrile InChIKey BCINLNFBTLIGBU-UHFFFAOYSA-N INCHI 1S/C10H6ClN3/c11-9-5-7(1-2-8(9)6-12)10-3-4-13-14-10/h1-5H,(H,13,14) Isómeros SMILES C1=CC(=C(C=C1C2=CC=NN2)Cl)C#N CAS alternativo 1297537-37-1 PubChem CID 67170102 Peso molecular 203.63
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 Pyrazoles Intermediate Tree Nodes Not available Direct Parent Phenylpyrazoles Alternative Parents Benzonitriles Chlorobenzenes Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylpyrazole - Benzonitrile - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to 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 Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 203.630 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 203.025 Da Monoisotopic Mass 203.025 Da Topological Polar Surface Area 52.500 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 247.000 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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