(2-Chloro-5-methyl-4-(methylsulfonyl)phenyl)hydrazine - ≥95% , CAS No.849035-85-4

CAS: 849035-85-4 Cat. No.: C1352228 Peso molecular: 234.71 Número EC: 674-400-4 PubChem CID: 2761082

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C(C=C1S(=O)(=O)C)Cl)NN
• IUPAC Name: (2-chloro-5-methyl-4-methylsulfonylphenyl)hydrazine
• InChIKey: APJTZCUVNGPUBD-UHFFFAOYSA-N
• INCHI: 1S/C8H11ClN2O2S/c1-5-3-7(11-10)6(9)4-8(5)14(2,12)13/h3-4,11H,10H2,1-2H3
• Isómeros SMILES: CC1=CC(=C(C=C1S(=O)(=O)C)Cl)NN
• PubChem CID: 2761082
• Peso molecular: 234.71

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Phenylhydrazines Toluenes Chlorobenzenes Aryl chlorides Sulfones Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Phenylhydrazine - Chlorobenzene - Halobenzene - Toluene - Aryl halide - Aryl chloride - Sulfonyl - Sulfone - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrazine derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl 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

• Punto de fusión (°C): 137-140
• Peso molecular: 234.700 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 234.023 Da
• Monoisotopic Mass: 234.023 Da
• Topological Polar Surface Area: 80.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 288.000
• 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