1,2-Dimethylimidazole-4-sulfonyl chloride - ≥95% , CAS No.137049-02-6

CAS: 137049-02-6 Cat. No.: D167114 Peso molecular: 194.641 Número EC: 655-195-0

GRADE & PURITY ≥95%

Synonyms

BP-10975 | 1,2-dimethylimidazole-4-sulphonyl chloride | EN300-58948 | SCHEMBL388492 | 1,2-dimethyl-1h-imidazole-4-sulphonyl chloride | AT12182 | 1,2-dimethyl-1H-imidazol-4-sulfonyl chloride | 1,2-dimethyl-1H-imidazole-4-sulfonyl chloride | 1,2-dimethylimi

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

BP-10975 | 1, 2-dimethylimidazole-4-sulphonyl chloride | EN300-58948 | SCHEMBL388492 | 1, 2-dimethyl-1h-imidazole-4-sulphonyl chloride | AT12182 | 1, 2-dimethyl-1H-imidazol-4-sulfonyl chloride | 1, 2-dimethyl-1H-imidazole-4-sulfonyl chloride | 1, 2-dimethylimi

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

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: CC1=NC(=CN1C)S(=O)(=O)Cl
• IUPAC Name: 1,2-dimethylimidazole-4-sulfonyl chloride
• InChIKey: JPAFTHVNSBWVQJ-UHFFFAOYSA-N
• INCHI: 1S/C5H7ClN2O2S/c1-4-7-5(3-8(4)2)11(6,9)10/h3H,1-2H3
• Isómeros SMILES: CC1=NC(=CN1C)S(=O)(=O)Cl
• Peso molecular: 194.641
• Reaxy-Rn: 7918301
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7918301&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Trisubstituted imidazoles
            • Level7 1,2,4-trisubstituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles - Trisubstituted imidazoles
• Direct Parent: 1,2,4-trisubstituted imidazoles
• Alternative Parents: N-substituted imidazoles Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2,4-trisubstituted-imidazole - N-substituted imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Heteroaromatic compound - Sulfonyl - Sulfonyl halide - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,2,4-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 1, 2, and 3.
• 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
• Punto de fusión (°C): 91-94℃
• Peso molecular: 194.640 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 193.992 Da
• Monoisotopic Mass: 193.992 Da
• Topological Polar Surface Area: 60.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 235.000
• 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

Referencias

1. Yingchao Liu, Jiahui Bai, Xiaoxia Dong, Yuqi Cao, Mingmai Bao, Yingjie Lu, Hui Zeng, Lixing Zhan, Yinlong Guo.  (2024)  Online Charge-Generation Derivatization by Electrochemical Radical Cations of Thianthrene: Mass Spectrometry Imaging of Estrogens in Biological Tissues.  ANALYTICAL CHEMISTRY,      [PMID:39031066] [10.1021/acs.analchem.4c02086]