cloruro de 2,4-dinitrofenilsulfenilo - ≥96%(T) , CAS No.528-76-7

CAS: 528-76-7 Cat. No.: D154272 Peso molecular: 234.61 Beilstein Registry Number: 405600 Número EC: 208-441-2

GRADE & PURITY ≥96%(T)

Synonyms

(2,4-dinitrophenyl) thiohypochlorite | EN300-20615 | UNII-6XLF60A5YM | DTXSID6060181 | Benzenesulfenyl chloride,4-dinitro- | EINECS 208-441-2 | Benzenesulfenyl chloride, 2,4-dinitro- | 6XLF60A5YM | MFCD00007129 | Dnp-sulfenyl chloride | 2,4-DINITROBENZENE

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Descripción general

el cloruro de 2,4-dinitrobencenosulfenilo experimenta reacciones de adición con cicloalquenos y norbornenos transanularmente sustituidos. el cloruro de 2,4-dinitrobencenosulfenilo puede convertir alcoholes alílicos en dienos por 1,4-eliminación.

el cloruro de 2,4-dinitrobencenosulfenilo se utilizó en la preparación de bifenilos de cloro y bromo.

Specifications

Sinónimos

(2, 4-dinitrophenyl) thiohypochlorite | EN300-20615 | UNII-6XLF60A5YM | DTXSID6060181 | Benzenesulfenyl chloride, 4-dinitro- | EINECS 208-441-2 | Benzenesulfenyl chloride, 2, 4-dinitro- | 6XLF60A5YM | MFCD00007129 | Dnp-sulfenyl chloride | 2, 4-DINITROBENZENE

Especificaciones y pureza

≥96%(T)

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥96%(T)

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCl
• IUPAC Name: (2,4-dinitrophenyl) thiohypochlorite
• InChIKey: GPXDNWQSQHFKRB-UHFFFAOYSA-N
• INCHI: 1S/C6H3ClN2O4S/c7-14-6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H
• Isómeros SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCl
• WGK Alemania: 3
• Peso molecular: 234.61
• Beilstein: 405600
• Reaxy-Rn: 405600
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=405600&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Sulfenyl halides 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 - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Sulfenyl compound - Sulfenyl halide - 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: 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Soluble in CH2Cl2. Insoluble in ether.
• Sensibilidad: Moisture sensitive，heat sensitive
• Punto de fusión (°C): 96℃
• Peso molecular: 234.620 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 233.95 Da
• Monoisotopic Mass: 233.95 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 241.000
• 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