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

CAS: 885-62-1 Cat. No.: S161152 分子式: C₆H₃N₂NaO₇S 分子量: 270.15 Beilstein Registry Number: 6676810 EC番号: 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

概要

Application:

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

Specifications

同義語

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

仕様と純度

≥98%(HPLC)(T)

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥98%(HPLC)(T)

名前と識別子

• パブケム・シド: 508807723
• カノニカル・スマイル: 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
• 異性体SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+]
• WGKドイツ: 3
• PubChem CID: 70168
• 分子量: 270.15
• Beilstein: 6676810
• Reaxy-Rn: 6676807

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in water; Soluble in Methanol
• 感度: Hygroscopic
• 分子量: 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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