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· · COA & SDS Disponível para todos os produtos · Envio no mesmo dia em itens em estoque 3,4-DIMETHYLBENZONITRILE - ≥98% , CAS No.22884-95-3
Disponível para encomenda
Synonyms
SY033865 | 1,2-Dimethyl-4-cyanobenzene | EINECS 245-293-8 | DTXSID80177426 | UNII-9478C1670I | W-107453 | AKOS007930466 | 3,4-Dimethylbenzoic acid nitrile | AC-19497 | InChI=1/C9H9N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,1-2H | 9478C1670I | Benzonitrile, 3,4-dimet
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Why this grade ≥98% 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
SY033865 | 1,2-Dimethyl-4-cyanobenzene | EINECS 245-293-8 | DTXSID80177426 | UNII-9478C1670I | W-107453 | AKOS007930466 | 3,4-Dimethylbenzoic acid nitrile | AC-19497 | InChI=1/C9H9N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,1-2H | 9478C1670I | Benzonitrile, 3,4-dimet
Especificações e pureza
≥98%
Condições de armazenamento de armazenamento
Room temperature
Nomes e identificadores Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504756004
Sorrisos canónicos
CC1=C(C=C(C=C1)C#N)C
IUPAC Name
3,4-dimethylbenzonitrile
InChIKey
OWISXYQFTOYGRO-UHFFFAOYSA-N
INCHI
1S/C9H9N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,1-2H3
SMILES isoméricas
CC1=C(C=C(C=C1)C#N)C
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=970523&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 Benzenoids Classe Benzene and substituted derivatives Subclass Benzonitriles Intermediate Tree Nodes Not available Direct Parent Benzonitriles Alternative Parents o-Xylenes Nitriles Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents O-xylene - Xylene - Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound Descrição This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. 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.
Estrutura 3D Alvos associados (não humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Ponto de fusão (°C) 64-68°C Peso molecular 131.170 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 0 Exact Mass 131.073 Da Monoisotopic Mass 131.073 Da Topological Polar Surface Area 23.800 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 153.000 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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