Sodium 2-Iodobenzenesulfonate - ≥97%(HPLC) , CAS No.62973-69-7

CAS: 62973-69-7 Cat. No.: S161160 Peso molecular: 306.05 Número EC: 691-526-5 PubChem CID: 23662047

GRADE & PURITY ≥97%(HPLC)

Synonyms

2-Iodobenzenesulfonic Acid Sodium Salt | A51139 | S0848 | SCHEMBL3203465 | DTXSID20635378 | C6H4INaO3S | sodium;2-iodobenzenesulfonate | Sodium 2-Iodobenzenesulfonate | sodium 2-iodo-benzenesulfonate | AS-81337 | MFCD12031329 | Sodium2-Iodobenzenesulfonat

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Iodobenzenesulfonic Acid Sodium Salt | A51139 | S0848 | SCHEMBL3203465 | DTXSID20635378 | C6H4INaO3S | sodium;2-iodobenzenesulfonate | Sodium 2-Iodobenzenesulfonate | sodium 2-iodo-benzenesulfonate | AS-81337 | MFCD12031329 | Sodium2-Iodobenzenesulfonat

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488200373
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200373
• Sonrisas canónicas: C1=CC=C(C(=C1)S(=O)(=O)[O-])I.[Na+]
• IUPAC Name: sodium;2-iodobenzenesulfonate
• InChIKey: KIPWXZMYZCPXGE-UHFFFAOYSA-M
• INCHI: 1S/C6H5IO3S.Na/c7-5-3-1-2-4-6(5)11(8,9)10;/h1-4H,(H,8,9,10);/q;+1/p-1
• Isómeros SMILES: C1=CC=C(C(=C1)S(=O)(=O)[O-])I.[Na+]
• PubChem CID: 23662047
• Peso molecular: 306.05
• Reaxy-Rn: 13847729

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonic acids and derivatives
• Alternative Parents: Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Iodobenzenes Aryl iodides Sulfonyls Organosulfonic acids Organic metal halides Organoiodides Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic alkali metal salt - Organic metal halide - Organic oxygen compound - Organosulfur compound - Organoiodide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic sodium salt - Organic salt - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
• 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

• Peso molecular: 306.060 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 305.882 Da
• Monoisotopic Mass: 305.882 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 223.000
• 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: 2

XLogP3