Brilliant Yellow - Dye content ≥50 % , CAS No.3051-11-4

CAS: 3051-11-4 Cat. No.: B294460 分子式: C₂₆H₁₈N₄Na₂O₈S₂ 分子量: 624.55 Beilstein Registry Number: 4122338 EC番号: 221-267-1 PubChem CID: 135442944

GRADE & PURITY Dye content ≥50 %

Synonyms

Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-(2-(4-hydroxyphenyl)diazenyl)-, sodium salt (1:2) | Direct Yellow 4 | Paper Yellow 3GX | Paper Yellow CB | B0783 | Benzo Brilliant Yellow | 4,4'-Bis[(4-hydroxyphenyl)azo]stilbene-2,2'-disulfonic acid,sodium

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-(2-(4-hydroxyphenyl)diazenyl)-, sodium salt (1:2) | Direct Yellow 4 | Paper Yellow 3GX | Paper Yellow CB | B0783 | Benzo Brilliant Yellow | 4,4'-Bis[(4-hydroxyphenyl)azo]stilbene-2,2'-disulfonic acid,sodium

仕様と純度

Dye content ≥50 %

保管条件

Room temperature

入荷

Normal

名前と識別子

カノニカル・スマイル

C1=CC(=CC=C1N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

IUPAC Name

disodium;5-[(4-hydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(4-hydroxyphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate

InChIKey

YLDIUICHQPKMNH-ZFEDVODKSA-L

INCHI

1S/C26H20N4O8S2.2Na/c31-23-11-7-19(8-12-23)27-29-21-5-3-17(25(15-21)39(33,34)35)1-2-18-4-6-22(16-26(18)40(36,37)38)30-28-20-9-13-24(32)14-10-20;;/h1-16,31-32H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b2-1+,29-27?,30-28?;;

異性体SMILES

C1=CC(=CC=C1N=NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)N=NC4=CC=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

WGKドイツ

3

PubChem CID

135442944

分子量

624.55

Beilstein

4122338

Reaxy-Rn

6952957

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Stilbenes
• Subclass: Sulfonated stilbenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfonated stilbenes
• Alternative Parents: Azobenzenes Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Styrenes Phenoxides Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Sulfonated stilbene - Azobenzene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Styrene - Phenoxide - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic alkali metal salt - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic sodium salt - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 624.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 624.036 Da
• Monoisotopic Mass: 624.036 Da
• Topological Polar Surface Area: 221.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 1000.000
• 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

XLogP3