Sodium 4-fluorobenzenesulfinate - ≥95% , CAS No.824-80-6

CAS: 824-80-6 Cat. No.: S195189 Peso molecular: 182.15 Número EC: 700-029-5 PubChem CID: 23666220

GRADE & PURITY ≥95%

Synonyms

FT-0632994 | SCHEMBL161233 | VDDUCRSPMBZLMH-UHFFFAOYSA-M | AKOS016373565 | H11887 | sodium p-fluorobenzenesulfinate | 4-Fluorobenzenesulfinic acid sodium salt | Sodium 4-fluorobenzenesulphinate | SY037436 | AKOS005258160 | 4-fluorobenzene sulfinic acid so

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0632994 | SCHEMBL161233 | VDDUCRSPMBZLMH-UHFFFAOYSA-M | AKOS016373565 | H11887 | sodium p-fluorobenzenesulfinate | 4-Fluorobenzenesulfinic acid sodium salt | Sodium 4-fluorobenzenesulphinate | SY037436 | AKOS005258160 | 4-fluorobenzene sulfinic acid so

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488200421
• Sonrisas canónicas: C1=CC(=CC=C1F)S(=O)[O-].[Na+]
• IUPAC Name: sodium;4-fluorobenzenesulfinate
• InChIKey: VDDUCRSPMBZLMH-UHFFFAOYSA-M
• INCHI: 1S/C6H5FO2S.Na/c7-5-1-3-6(4-2-5)10(8)9;/h1-4H,(H,8,9);/q;+1/p-1
• Isómeros SMILES: C1=CC(=CC=C1F)S(=O)[O-].[Na+]
• PubChem CID: 23666220
• Peso molecular: 182.15

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Sulfinic acids and derivatives Organic metal halides Organosulfur compounds Organofluorides Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl fluoride - Aryl halide - Sulfinic acid derivative - Organic metal halide - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Organic salt - Organic sodium salt - Organosulfur compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached 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: 182.150 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 181.981 Da
• Monoisotopic Mass: 181.981 Da
• Topological Polar Surface Area: 59.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 137.000
• 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

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