Benzenesulfonyl isocyanate - ≥95% , CAS No.2845-62-7

CAS: 2845-62-7 Cat. No.: B113719 Peso molecular: 183.18 Beilstein Registry Number: 743441 Número EC: 220-640-6

GRADE & PURITY ≥95%

Synonyms

EINECS 220-640-6 | phenyl sulfonyl isocyanate | phenylsulfonylisocyanate | Benzenesulfonylisocyanate | Benzenesulfonyl isocyanate, 95% | benzenesulphonylisocyanate | AKOS005206912 | Benzenesulfonyl isocyanate | benzene sulphonyl isocyanate | SCHEMBL7211 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Benzenesulfonyl isocyanate reacts with ethanol and phenol to yield normal urethan products
Benzenesulfonyl isocyanate was used in synthesis of sterically hindered derivatives of phenols and alcohols. It was also used in the reaction of semi crystalline poly(ether ether ketone) films with carbonyl selective reagents to produce modified film samples

Specifications

Sinónimos

EINECS 220-640-6 | phenyl sulfonyl isocyanate | phenylsulfonylisocyanate | Benzenesulfonylisocyanate | Benzenesulfonyl isocyanate, 95% | benzenesulphonylisocyanate | AKOS005206912 | Benzenesulfonyl isocyanate | benzene sulphonyl isocyanate | SCHEMBL7211 |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

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

• Sonrisas canónicas: C1=CC=C(C=C1)S(=O)(=O)N=C=O
• IUPAC Name: N-(oxomethylidene)benzenesulfonamide
• InChIKey: UJYAZVSPFMJCLW-UHFFFAOYSA-N
• INCHI: 1S/C7H5NO3S/c9-6-8-12(10,11)7-4-2-1-3-5-7/h1-5H
• Isómeros SMILES: C1=CC=C(C=C1)S(=O)(=O)N=C=O
• WGK Alemania: 3
• Número ONU: 2922
• Peso molecular: 183.18
• Beilstein: 743441
• Reaxy-Rn: 743441
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=743441&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Sulfonyl isocyanates Organosulfonic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Sulfonyl isocyanate - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

• Sensibilidad: Moisture sensitive，heat sensitive
• Índice de refracción: 1.535-1.537
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 130°C
• Peso molecular: 183.190 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 182.999 Da
• Monoisotopic Mass: 182.999 Da
• Topological Polar Surface Area: 72.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 278.000
• 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