4-Amino-4'-nitrostilbene-2,2'-disulfonic acid disodium salt - ≥80% , CAS No.6634-82-8

CAS: 6634-82-8 Cat. No.: A135668 Peso molecular: 444.34

GRADE & PURITY ≥80%

Synonyms

MFCD00143251 | 5-Amino-2-(2-(4-nitro-2-sulphophenyl)vinyl)benzenesulphonic acid, sodium salt | A1199 | EINECS 284-133-1 | 5-Amino-2-[2-(4-nitro-2-sulfophenyl)vinyl]benzenesulfonic acid,sodium salt | 4-Amino-4'-nitrostilbene-2,2'-disulfonic Acid Disodium S

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

MFCD00143251 | 5-Amino-2-(2-(4-nitro-2-sulphophenyl)vinyl)benzenesulphonic acid, sodium salt | A1199 | EINECS 284-133-1 | 5-Amino-2-[2-(4-nitro-2-sulfophenyl)vinyl]benzenesulfonic acid, sodium salt | 4-Amino-4'-nitrostilbene-2, 2'-disulfonic Acid Disodium S

Especificaciones y pureza

≥80%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥80%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1N)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;5-amino-2-[(E)-2-(4-nitro-2-sulfonatophenyl)ethenyl]benzenesulfonate
• InChIKey: RXYPPHDUSQFWID-SEPHDYHBSA-L
• INCHI: 1S/C14H12N2O8S2.2Na/c15-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(16(17)18)8-14(10)26(22,23)24;;/h1-8H,15H2,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2/b2-1+
• Isómeros SMILES: C1=CC(=C(C=C1N)S(=O)(=O)[O-])/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• Peso molecular: 444.34
• Reaxy-Rn: 5219348
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5219348&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes
      • Subclass Sulfonated stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Sulfonated stilbenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonated stilbenes
• Alternative Parents: Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Nitrobenzenes Styrenes Aniline and substituted anilines Nitroaromatic compounds Sulfonyls Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Hydrocarbon derivatives Organic oxides Organic sodium salts Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Sulfonated stilbene - Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Styrene - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic alkali metal salt - Amine - Organic nitrogen compound - Organic salt - Primary amine - Organosulfur compound - Organonitrogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sulfonated stilbenes. These are stilbenes that carry a sulfone group at one or more positions of either benzene rings.
• 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

• Solubilidad: Soluble in water
• Peso molecular: 444.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 443.967 Da
• Monoisotopic Mass: 443.967 Da
• Topological Polar Surface Area: 203.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 721.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 3

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