Azophloxine - Dye content 60 % , CAS No.3734-67-6

CAS: 3734-67-6 Cat. No.: A104999 Molecular Weight: 509.42 Beilstein Registry Number: 4121767 EC Number: 223-098-9

GRADE & PURITY Dye content 60 %

Synonyms

(EZ)-azophloxine | Kiton Red 2G | Leather Red G | Acid Naftol Red G | Acidine Red G | Azophloxin | C. I. Food Red 10 | FABRACID RED S 2G | NSC 8666 | Red 2G, analytical standard | Azophloxine | Azo Phloxine | Fast Crimson GR | Red 2G | C.I. Food Red 10 |

Storage

Desiccated,Room temperature

Shipped In

Normal

Overview

A useful stain with color index of 18050.

Specifications

Synonyms

(EZ)-azophloxine | Kiton Red 2G | Leather Red G | Acid Naftol Red G | Acidine Red G | Azophloxin | C. I. Food Red 10 | FABRACID RED S 2G | NSC 8666 | Red 2G, analytical standard | Azophloxine | Azo Phloxine | Fast Crimson GR | Red 2G | C.I. Food Red 10 |

Specifications & Purity

Dye content 60 %

Storage

Desiccated, Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488182546
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182546
• Canonical Smiles: CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2O)N=NC3=CC=CC=C3)S(=O)(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;5-acetamido-4-hydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonate
• InChIKey: WXLFIFHRGFOVCD-UHFFFAOYSA-L
• INCHI: 1S/C18H15N3O8S2.2Na/c1-10(22)19-14-9-13(30(24,25)26)7-11-8-15(31(27,28)29)17(18(23)16(11)14)21-20-12-5-3-2-4-6-12;;/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
• Isomeric SMILES: CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2O)N=NC3=CC=CC=C3)S(=O)(=O)[O-].[Na+].[Na+]
• WGK Germany: 3
• RTECS: QJ6030000
• Alternate CAS: 25317-20-8
• Molecular Weight: 509.42
• Beilstein: 4121767
• Reaxy-Rn: 4121767
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4121767&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 2-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 2-naphthalene sulfonates
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives N-acetylarylamines 1-sulfo,2-unsubstituted aromatic compounds Phenoxides Sulfonyls Organosulfonic acids Acetamides Secondary carboxylic acid amides Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - N-acetylarylamine - 1-sulfo,2-unsubstituted aromatic compound - N-arylamide - Phenoxide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Acetamide - Azo compound - Carboxamide group - Secondary carboxylic acid amide - Organic alkali metal salt - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic salt - Organic sodium salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• 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

Chemical and Physical Properties

• Solubility: Soluble in water, ethanol (slightly), and cellosolve.
• Molecular Weight: 509.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 508.994 Da
• Monoisotopic Mass: 508.994 Da
• Topological Polar Surface Area: 205.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 863.000
• 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: 3

XLogP3

References

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