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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2,4-Dinitrophenyl Thiocyanate - ≥98%(GC) , CAS No.1594-56-5
Synonyms
BENZENE, 2,4-DINITRO-1-THIOCYANATO- | DINITROPHENYL THIOCYANATE, 2,4- | 2,4-Dinitrofenylthiokyanat [Czech] | Tri-Rodazene | Nirit | Nirit Supra | Rodatox 60 | BS-43902 | T0199 | Thiocyanicacid,2,4-dinitrophenylester | 2,4-Dinitrothiocyanatebenzene | DNRB
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Why this grade ≥98%(GC) 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
BENZENE, 2,4-DINITRO-1-THIOCYANATO- | DINITROPHENYL THIOCYANATE, 2,4- | 2,4-Dinitrofenylthiokyanat [Czech] | Tri-Rodazene | Nirit | Nirit Supra | Rodatox 60 | BS-43902 | T0199 | Thiocyanicacid,2,4-dinitrophenylester | 2,4-Dinitrothiocyanatebenzene | DNRB
Especificaciones y pureza
≥98%(GC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752655
Sonrisas canónicas
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC#N
IUPAC Name
(2,4-dinitrophenyl) thiocyanate
InChIKey
XQDQRCRASHAZBA-UHFFFAOYSA-N
INCHI
1S/C7H3N3O4S/c8-4-15-7-2-1-5(9(11)12)3-6(7)10(13)14/h1-3H
Isómeros SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC#N
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1983292&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 Benzene and substituted derivatives Subclass Nitrobenzenes Intermediate Tree Nodes Not available Direct Parent Nitrobenzenes Alternative Parents Nitroaromatic compounds Aryl thioethers Thiocyanates Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzene - Aryl thioether - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Thiocyanate - Sulfenyl compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. External Descriptors C-nitro compound - thiocyanates 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 Sensibilidad Moisture sensitive Punto de fusión (°C) 139 °C Peso molecular 225.180 g/mol XLogP3 2.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 1 Exact Mass 224.984 Da Monoisotopic Mass 224.984 Da Topological Polar Surface Area 141.000 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 314.000 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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