Imidazole-4-sulfonyl chloride - ≥95% , CAS No.58767-51-4

CAS: 58767-51-4 Cat. No.: I135024 Peso molecular: 166.58 Número EC: 694-728-1

GRADE & PURITY ≥95%

Synonyms

SY024779 | BCP29103 | F2158-0574 | STK802292 | imidazole- 4-sulfonylchloride | imidazole-4-sulfonyl chloride | imidazole-4-sul-fonyl chloride | 1H-Imidazole-4-sulfonyl chloride, 95% | MXCZCMCHRWGSBX-UHFFFAOYSA-N | 1H-imidazole-5-sulfonyl chloride | BBL011

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

SY024779 | BCP29103 | F2158-0574 | STK802292 | imidazole- 4-sulfonylchloride | imidazole-4-sulfonyl chloride | imidazole-4-sul-fonyl chloride | 1H-Imidazole-4-sulfonyl chloride, 95% | MXCZCMCHRWGSBX-UHFFFAOYSA-N | 1H-imidazole-5-sulfonyl chloride | BBL011

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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=C(NC=N1)S(=O)(=O)Cl
• IUPAC Name: 1H-imidazole-5-sulfonyl chloride
• InChIKey: MXCZCMCHRWGSBX-UHFFFAOYSA-N
• INCHI: 1S/C3H3ClN2O2S/c4-9(7,8)3-1-5-2-6-3/h1-2H,(H,5,6)
• Isómeros SMILES: C1=C(NC=N1)S(=O)(=O)Cl
• Peso molecular: 166.58
• Reaxy-Rn: 20784349
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20784349&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazoles
• Alternative Parents: Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Imidazole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.
• 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: Light sensitive；Moisture sensitive
• Índice de refracción: 1.57
• Punto de ebullición (°C): 418.2 °C
• Punto de fusión (°C): 163-174°C
• Peso molecular: 166.590 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 165.96 Da
• Monoisotopic Mass: 165.96 Da
• Topological Polar Surface Area: 71.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 184.000
• 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