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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 1-[(4-Methylphenyl)methyl]benzimidazole , CAS No.46804-13-1
Synonyms
1-(4-methylbenzyl)-1H-benzimidazole | 1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazole | 1-[(4-methylphenyl)methyl]benzimidazole | SMR000140596 | Cambridge id 5660856 | MLS000533158 | IFLab1_004416 | N-(4-methylbenzyl)benzimidazole | HMS1424I16 | HMS2500E07
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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
1-(4-methylbenzyl)-1H-benzimidazole | 1-[(4-methylphenyl)methyl]-1H-1, 3-benzodiazole | 1-[(4-methylphenyl)methyl]benzimidazole | SMR000140596 | Cambridge id 5660856 | MLS000533158 | IFLab1_004416 | N-(4-methylbenzyl)benzimidazole | HMS1424I16 | HMS2500E07
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto Nombres e identificadores Sonrisas canónicas CC1=CC=C(C=C1)CN2C=NC3=CC=CC=C32 IUPAC Name 1-[(4-methylphenyl)methyl]benzimidazole InChIKey VFOIZTXAWSHNLR-UHFFFAOYSA-N INCHI 1S/C15H14N2/c1-12-6-8-13(9-7-12)10-17-11-16-14-4-2-3-5-15(14)17/h2-9,11H,10H2,1H3 Isómeros SMILES CC1=CC=C(C=C1)CN2C=NC3=CC=CC=C32 Peso molecular 222.28 Reaxy-Rn 912408 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=912408&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 Benzimidazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzimidazoles Alternative Parents Toluenes N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzimidazole - Toluene - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). 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 222.280 g/mol XLogP3 3.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 2 Exact Mass 222.116 Da Monoisotopic Mass 222.116 Da Topological Polar Surface Area 17.800 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 245.000 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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