Bis(4-nitrophenyl) Sulfone - ≥95% , CAS No.1156-50-9

CAS: 1156-50-9 Cat. No.: B152557 Peso molecular: 308.26 Beilstein Registry Number: 6340 Número EC: 214-589-9

GRADE & PURITY ≥95%

Synonyms

Esbatal | 4,4'-Dinitrodiphenyl sulfone | Bis(4-nitrophenyl)sulfone | 4,4'-sulfonylbis(nitrobenzene) | Bis(p-nitrophenyl) sulfone | BRN 2060993 | 3-Propanolide | Benzene, 1,1'-sulfonylbis(4-nitro- | EINECS 214-589-9 | Bis(4-nitrophenyl) sulfone | D89946 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Esbatal | 4, 4'-Dinitrodiphenyl sulfone | Bis(4-nitrophenyl)sulfone | 4, 4'-sulfonylbis(nitrobenzene) | Bis(p-nitrophenyl) sulfone | BRN 2060993 | 3-Propanolide | Benzene, 1, 1'-sulfonylbis(4-nitro- | EINECS 214-589-9 | Bis(4-nitrophenyl) sulfone | D89946 |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488184612
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184612
• Sonrisas canónicas: C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
• IUPAC Name: 1-nitro-4-(4-nitrophenyl)sulfonylbenzene
• InChIKey: BVHNGWRPAFKGFP-UHFFFAOYSA-N
• INCHI: 1S/C12H8N2O6S/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18/h1-8H
• Isómeros SMILES: C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
• Peso molecular: 308.26
• Beilstein: 6340
• Reaxy-Rn: 2060993
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2060993&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: Benzenesulfonyl compounds Nitroaromatic compounds Sulfones 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 - Benzenesulfonyl group - Nitroaromatic compound - Sulfone - Sulfonyl - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture Sensitive
• Peso molecular: 308.270 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 308.01 Da
• Monoisotopic Mass: 308.01 Da
• Topological Polar Surface Area: 134.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 447.000
• 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