4′-Bromobiphenyl-4-sulfonyl chloride - ≥95% , CAS No.13610-11-2

CAS: 13610-11-2 Cat. No.: B335588 Peso molecular: 331.61 Número EC: 673-506-8

GRADE & PURITY ≥95%

Synonyms

4'-Bromo-[1,1'-biphenyl]-4-sulfonyl chloride | AMINO-PYRIDIN-2-YL-ACETICACID | 4'-Bromo-[1,1'-biphenyl]-4-sulfonylchloride | 4-(4-bromophenyl)benzene-1-sulfonyl chloride | SCHEMBL1455825 | 4/'-Bromobiphenyl-4-sulfonyl chloride | DTXSID60373585 | 4-(4-brom

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

4'-Bromo-[1, 1'-biphenyl]-4-sulfonyl chloride | AMINO-PYRIDIN-2-YL-ACETICACID | 4'-Bromo-[1, 1'-biphenyl]-4-sulfonylchloride | 4-(4-bromophenyl)benzene-1-sulfonyl chloride | SCHEMBL1455825 | 4/'-Bromobiphenyl-4-sulfonyl chloride | DTXSID60373585 | 4-(4-brom

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1C2=CC=C(C=C2)Br)S(=O)(=O)Cl
• IUPAC Name: 4-(4-bromophenyl)benzenesulfonyl chloride
• InChIKey: SSBVDUAYXSMLTR-UHFFFAOYSA-N
• INCHI: 1S/C12H8BrClO2S/c13-11-5-1-9(2-6-11)10-3-7-12(8-4-10)17(14,15)16/h1-8H
• Isómeros SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)Br)S(=O)(=O)Cl
• Número ONU: 1759
• Grupo de embalaje: III
• Peso molecular: 331.61
• Reaxy-Rn: 2460807
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2460807&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Brominated biphenyls
• Alternative Parents: Benzenesulfonyl chlorides Bromobenzenes Aryl bromides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Brominated biphenyl - Benzenesulfonyl chloride - Benzenesulfonyl group - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Sulfonyl - Sulfonyl halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Organohalogen compound - Organic oxygen compound - Organobromide - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as brominated biphenyls. These are organic compounds containing a biphenyl moiety substituted at one or more positions by a bromine 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: Air & heat & Moisture sensitive
• Peso molecular: 331.610 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 329.912 Da
• Monoisotopic Mass: 329.912 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 336.000
• 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