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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2-(1,3-Benzodioxol-5-Ylmethylene)-Propanedinitrile - ≥95% , CAS No.2972-82-9
Synonyms
(Benzo[3,4-d]1,3-dioxolan-5-ylmethylene)-methane-1,1-dicarbonitrile | (Benzo[3,4-d]1,3-dioxolan-5-ylmethylene)methane-1,1-dicarbonitrile | 2-(2H-1,3-benzodioxol-5-ylmethylidene)propanedinitrile | NSC 1340 | AC2BZ3JS4G | Maybridge1_007110 | Oprea1_083830 |
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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
(Benzo[3, 4-d]1, 3-dioxolan-5-ylmethylene)-methane-1, 1-dicarbonitrile | (Benzo[3, 4-d]1, 3-dioxolan-5-ylmethylene)methane-1, 1-dicarbonitrile | 2-(2H-1, 3-benzodioxol-5-ylmethylidene)propanedinitrile | NSC 1340 | AC2BZ3JS4G | Maybridge1_007110 | Oprea1_083830 |
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 504752864 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504752864 Sonrisas canónicas C1OC2=C(O1)C=C(C=C2)C=C(C#N)C#N IUPAC Name 2-(1,3-benzodioxol-5-ylmethylidene)propanedinitrile InChIKey AWMFEYQOEQDZKO-UHFFFAOYSA-N INCHI 1S/C11H6N2O2/c12-5-9(6-13)3-8-1-2-10-11(4-8)15-7-14-10/h1-4H,7H2 Isómeros SMILES C1OC2=C(O1)C=C(C=C2)C=C(C#N)C#N PubChem CID 18091 Peso molecular 198.183
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 Benzodioxoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzodioxoles Alternative Parents Benzenoids Oxacyclic compounds Nitriles Acetals Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzodioxole - Benzenoid - Oxacycle - Nitrile - Carbonitrile - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. 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 Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 198.180 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 198.043 Da Monoisotopic Mass 198.043 Da Topological Polar Surface Area 66.000 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 353.000 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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