Sodium 3-hydroxybenzenesulfonate - ≥95% , CAS No.14278-60-5

CAS: 14278-60-5 Cat. No.: S587225 Formula: C₆H₅NaO₄S Peso molecolare: 196.16 PubChem CID: 23667568

GRADE & PURITY ≥95%

Synonyms

Benzenesulfonic acid, m-hydroxy-, monosodium salt | Benzenesulfonic acid, 3-hydroxy-, monosodium salt | sodium3-hydroxybenzenesulfonate | I10143 | sodium;3-hydroxybenzenesulfonate | SY270195 | DTXSID40162176 | Benzenesulfonic acid, 3-hydroxy-, sodium salt

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

Benzenesulfonic acid, m-hydroxy-, monosodium salt | Benzenesulfonic acid, 3-hydroxy-, monosodium salt | sodium3-hydroxybenzenesulfonate | I10143 | sodium;3-hydroxybenzenesulfonate | SY270195 | DTXSID40162176 | Benzenesulfonic acid, 3-hydroxy-, sodium salt

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥95%

Nomi e identificatori

Pubchem Sid

508809086

Sorrisi canonici

C1=CC(=CC(=C1)S(=O)(=O)[O-])O.[Na+]

IUPAC Name

sodium;3-hydroxybenzenesulfonate

InChIKey

SYGMNXFMNIFZLK-UHFFFAOYSA-M

INCHI

1S/C6H6O4S.Na/c7-5-2-1-3-6(4-5)11(8,9)10;/h1-4,7H,(H,8,9,10);/q;+1/p-1

Isomeri SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])O.[Na+]

PubChem CID

23667568

Peso molecolare

196.16

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic alkali metal salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic salt - Organic sodium salt - Organic cation - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 196.160 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 195.981 Da
• Monoisotopic Mass: 195.981 Da
• Topological Polar Surface Area: 85.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 220.000
• 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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