Sulfo orange - 0.04% , CAS No.547-57-9

CAS: 547-57-9 Cat. No.: S196521 Summenformel: C₁₂H₉N₂NaO₅S Molekulargewicht: 316.27 EG-Nummer: 208-924-8 PubChem CID: 2728027

GRADE & PURITY 0.04%

Synonyms

Tropaeolin O|547-57-9|ACID ORANGE 6|Resorcinol yellow|Chrysoine|TropaeolinO|Chrysoine S|C.I. Acid Orange 6|Tropaeoline|Resorcin yellow|Chrysoine Extra|Tropaeoline O|Chrysonine S|Tropaeolin R|Chrysoine N|Chrysonis S|Gold Yellow|Resorcine Yellow|Tropaelin-O

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Tropaeolin O | 547-57-9 | ACID ORANGE 6 | Resorcinol yellow | Chrysoine | TropaeolinO | Chrysoine S | C.I. Acid Orange 6 | Tropaeoline | Resorcin yellow | Chrysoine Extra | Tropaeoline O | Chrysonine S | Tropaeolin R | Chrysoine N | Chrysonis S | Gold Yellow | Resorcine Yellow | Tropaelin-O

Spezifikationen & Reinheit

0.04%

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

Kanonisches Lächeln

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

Isomere SMILES

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

PubChem CID

2728027

Molekulargewicht

316.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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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How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 547-57-9, the molecular formula is C12H9N2NaO5S, and the molecular weight is 316.27 g/mol. InChIKey COEZWFYORILMOM-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.