Sodium 2,4-Dinitrobenzenesulfonate - ≥98%(HPLC)(T) , CAS No.885-62-1

CAS: 885-62-1 Cat. No.: S161152 Peso molecular: 270.15 Beilstein Registry Number: 6676810 Número EC: 212-943-7 PubChem CID: 70168

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

DTXSID8061262 | NSC 10377 | AKOS015912517 | Sodium 2,4-dinitrobenzenesulphonate | 2,4-Dintrobenzenesulfonicacidsodiumsalt | Benzenesulfonic acid, 2,4-dinitro-, sodium salt (1:1) | AI3-09049 | D0821 | Sodium 2,4-dinitrobenzenesulfonate | WPT7E329JW | 2,4-D

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Application:

2,4-Dinitrobenzenesulfonic acid sodium salt is used in the synthesis of aromatic dimethylene spacer-inserted cyclodextrin derivatives.

Specifications

Sinónimos

DTXSID8061262 | NSC 10377 | AKOS015912517 | Sodium 2, 4-dinitrobenzenesulphonate | 2, 4-Dintrobenzenesulfonicacidsodiumsalt | Benzenesulfonic acid, 2, 4-dinitro-, sodium salt (1:1) | AI3-09049 | D0821 | Sodium 2, 4-dinitrobenzenesulfonate | WPT7E329JW | 2, 4-D

Especificaciones y pureza

≥98%(HPLC)(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)(T)

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;2,4-dinitrobenzenesulfonate
• InChIKey: GSBYVRKLPCSLNV-UHFFFAOYSA-M
• INCHI: 1S/C6H4N2O7S.Na/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12;/h1-3H,(H,13,14,15);/q;+1/p-1
• Isómeros SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+]
• WGK Alemania: 3
• PubChem CID: 70168
• Peso molecular: 270.15
• Beilstein: 6676810
• Reaxy-Rn: 6676807

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: p-Nitrobenzenesulfonates
• Alternative Parents: p-Bromobenzenesulfonates Nitrobenzenes Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Nitroaromatic compounds Sulfonyls Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-nitrobenzenesulfonate - P-bromobenzenesulfonate - Arylsulfonic acid or derivatives - Nitrobenzene - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Nitroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organic sodium salt - Organic salt - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-nitrobenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a nitro group at the para- position.
• External Descriptors: organic sodium salt

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

• Solubilidad: Soluble in water; Soluble in Methanol
• Sensibilidad: Hygroscopic
• Peso molecular: 270.150 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 269.956 Da
• Monoisotopic Mass: 269.956 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 375.000
• 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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