Tropaeolin O - indicator , CAS No.547-57-9

CAS: 547-57-9 Cat. No.: T106946 分子式: C₁₂H₉N₂NaO₅S 分子量: 316.27 EC番号: 208-924-8 PubChem CID: 2728027

グレード＆純度 Indicator

Synonyms

C.I. Food Yellow 8 | Chrysoin S Specially Pure | Chrysonine S | F9995-1411 | Tropaeolene (Biological Stain) | AKOS004901443 | CI 14270 [INCI] | Monosodium 4-((2,4-dihydroxyphenyl)azo)benzenesulfonate | SCHEMBL94484 | NSC 10441 | p-((2,4-Dihydroxyphenyl)az

Storage

Room temperature

Shipped In

Normal

仕様

同義語

C.I. Food Yellow 8 | Chrysoin S Specially Pure | Chrysonine S | F9995-1411 | Tropaeolene (Biological Stain) | AKOS004901443 | CI 14270 [INCI] | Monosodium 4-((2,4-dihydroxyphenyl)azo)benzenesulfonate | SCHEMBL94484 | NSC 10441 | p-((2,4-Dihydroxyphenyl)az

仕様と純度

indicator

保管条件

Room temperature

入荷

Normal

等級

指標

名前と識別子

パブケム・シド

504760950

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504760950

カノニカル・スマイル

C1=CC(=CC=C1N=NC2=C(C=C(C=C2)O)O)S(=O)(=O)[O-].[Na+]

IUPAC Name

sodium;4-[(2,4-dihydroxyphenyl)diazenyl]benzenesulfonate

InChIKey

COEZWFYORILMOM-UHFFFAOYSA-M

INCHI

1S/C12H10N2O5S.Na/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19;/h1-7,15-16H,(H,17,18,19);/q;+1/p-1

異性体SMILES

C1=CC(=CC=C1N=NC2=C(C=C(C=C2)O)O)S(=O)(=O)[O-].[Na+]

PubChem CID

2728027

分子量

316.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Phenoxides 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Benzenesulfonate - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenoxide - Phenol - Benzenoid - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated 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

化学的性質と物理的性質

• 溶解度: Soluble in water; Soluble in Alcohol
• 分子量: 316.270 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 316.013 Da
• Monoisotopic Mass: 316.013 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 445.000
• 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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