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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 5-amino-2,3-dicano-1,4-naftoquinona - ≥97% , CAS No.68217-29-8
Synonyms
AC-27844 | BNBGDHHYNYTXFH-UHFFFAOYSA-N | MFCD00671485 | 5-Amino-2,3-dicyano-1,4-naphthoquinone | SCHEMBL8740052 | SB79671 | A836052 | AKOS025401992 | 5-amino-1,4-dioxo-naphthalene-2,3-dicarbonitrile | 5-amino-1,4-dioxonaphthalene-2,3-dicarbonitrile | DTXS
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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
AC-27844 | BNBGDHHYNYTXFH-UHFFFAOYSA-N | MFCD00671485 | 5-Amino-2, 3-dicyano-1, 4-naphthoquinone | SCHEMBL8740052 | SB79671 | A836052 | AKOS025401992 | 5-amino-1, 4-dioxo-naphthalene-2, 3-dicarbonitrile | 5-amino-1, 4-dioxonaphthalene-2, 3-dicarbonitrile | DTXS
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488190748 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488190748 Sonrisas canónicas C1=CC2=C(C(=C1)N)C(=O)C(=C(C2=O)C#N)C#N IUPAC Name 5-amino-1,4-dioxonaphthalene-2,3-dicarbonitrile InChIKey BNBGDHHYNYTXFH-UHFFFAOYSA-N INCHI 1S/C12H5N3O2/c13-4-7-8(5-14)12(17)10-6(11(7)16)2-1-3-9(10)15/h1-3H,15H2 Isómeros SMILES C1=CC2=C(C(=C1)N)C(=O)C(=C(C2=O)C#N)C#N Peso molecular 223.19 Reaxy-Rn 2848447 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2848447&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 Clase Naphthalenes Subclass Naphthoquinones Intermediate Tree Nodes Not available Direct Parent Naphthoquinones Alternative Parents Quinones Aryl ketones Vinylogous amides Nitriles Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homopolycyclic compounds Substituents Naphthoquinone - Quinone - Aryl ketone - Vinylogous amide - Ketone - Carbonitrile - Nitrile - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound Descripción This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone). 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 223.190 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 0 Exact Mass 223.038 Da Monoisotopic Mass 223.038 Da Topological Polar Surface Area 108.000 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 528.000 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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