4-Amino-6-chloro-1，3-benzenedisulfonyl Dichloride - ≥98% , CAS No.671-89-6

CAS: 671-89-6 Cat. No.: A133549 Peso molecular: 324.589 Número EC: 211-586-4

GRADE & PURITY ≥98%

Synonyms

AKOS015898734 | 4-amino-6-chlorobenzene-1,3-disulfonyl chloride | m-Benzenedisulfonyl chloride, 4-amino-6-chloro- | 5-Chloroaniline-2,4-disulfonyl Dichloride | Q-200431 | FT-0661662 | MFCD00024873 | SR-01000944908-1 | 4-Chloro-6-aminobenzene-1,3-disulfony

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS015898734 | 4-amino-6-chlorobenzene-1, 3-disulfonyl chloride | m-Benzenedisulfonyl chloride, 4-amino-6-chloro- | 5-Chloroaniline-2, 4-disulfonyl Dichloride | Q-200431 | FT-0661662 | MFCD00024873 | SR-01000944908-1 | 4-Chloro-6-aminobenzene-1, 3-disulfony

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488184366
• Sonrisas canónicas: C1=C(C(=CC(=C1Cl)S(=O)(=O)Cl)S(=O)(=O)Cl)N
• IUPAC Name: 4-amino-6-chlorobenzene-1,3-disulfonyl chloride
• InChIKey: YIZXGHNDQUYDDF-UHFFFAOYSA-N
• INCHI: 1S/C6H4Cl3NO4S2/c7-3-1-4(10)6(16(9,13)14)2-5(3)15(8,11)12/h1-2H,10H2
• Isómeros SMILES: C1=C(C(=CC(=C1Cl)S(=O)(=O)Cl)S(=O)(=O)Cl)N
• Peso molecular: 324.589
• Reaxy-Rn: 2001178
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2001178&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds
        • Level5 Benzenesulfonyl halides
          • Level6 Benzenesulfonyl chlorides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Benzenesulfonyl halides
• Direct Parent: Benzenesulfonyl chlorides
• Alternative Parents: Aniline and substituted anilines Chlorobenzenes Aryl chlorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Primary amines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl chloride - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic sulfonic acid or derivatives - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organopnictogen compound - Organic nitrogen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonyl chlorides. These are aromatic compounds containing a benzenesulfonyl group, where the sulfonyl moiety is singly boned to a chloride atom.
• 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
• Peso molecular: 324.600 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 322.865 Da
• Monoisotopic Mass: 322.865 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 451.000
• 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