2,5-Dichlorothiophene-3-sulfonyl chloride - ≥95% , CAS No.56946-83-9

CAS: 56946-83-9 Cat. No.: D185276 Peso molecular: 251.54 Número EC: 625-984-4

GRADE & PURITY ≥95%

Synonyms

2,5-Dichlorothiophene-3-sulfonic acid chloride | C4HCl3O2S2 | F16070 | 2,5-Dichlorothiophene-3-sulfonyl chloride | 2,5-Dichlorothiophene-3-sulfonylchloride | 2,5-dichloro-3-thiophenesulfonyl chloride | A831249 | SCHEMBL388032 | 2,5-dichlorothien-3-yl-sulf

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

2, 5-Dichlorothiophene-3-sulfonic acid chloride | C4HCl3O2S2 | F16070 | 2, 5-Dichlorothiophene-3-sulfonyl chloride | 2, 5-Dichlorothiophene-3-sulfonylchloride | 2, 5-dichloro-3-thiophenesulfonyl chloride | A831249 | SCHEMBL388032 | 2, 5-dichlorothien-3-yl-sulf

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged, Desiccated

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=C(SC(=C1S(=O)(=O)Cl)Cl)Cl
• IUPAC Name: 2,5-dichlorothiophene-3-sulfonyl chloride
• InChIKey: JJKSHSHZJOWSEC-UHFFFAOYSA-N
• INCHI: 1S/C4HCl3O2S2/c5-3-1-2(4(6)10-3)11(7,8)9/h1H
• Isómeros SMILES: C1=C(SC(=C1S(=O)(=O)Cl)Cl)Cl
• WGK Alemania: 3
• Peso molecular: 251.54
• Reaxy-Rn: 1285315
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1285315&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thiophenes
      • Subclass 2,3,5-trisubstituted thiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thiophenes
• Subclass: 2,3,5-trisubstituted thiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,3,5-trisubstituted thiophenes
• Alternative Parents: Aryl chlorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Heteroaromatic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,3,5-trisubstituted thiophene - Aryl chloride - Aryl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Heteroaromatic compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organosulfur compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2,3,5-trisubstituted thiophenes. These are organic compounds containing a thiophene that is trisubstituted at the C-2, C3- and C5-positions.
• 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 inflamación (°F): 230 °F
• Punto de inflamación (°C): 110 °C
• Peso molecular: 251.500 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 249.848 Da
• Monoisotopic Mass: 249.848 Da
• Topological Polar Surface Area: 70.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 234.000
• 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