Reactive red 2 , CAS No.17804-49-8

CAS: 17804-49-8 Cat. No.: R339042 Formula: C₁₉H₁₀Cl₂N₆Na₂O₇S₂ Molecular Weight: 615.33 EC Number: 241-776-2 PubChem CID: 28781

Synonyms

Procion Red MX 5B

Storage

Room temperature

Shipped In

Normal

Overview

Procion Red is a monoazo dye, that is highly soluble in water. It is used for dyeing cellulose, nylon, silk and wool.

Application：

Procion Red has been used in the visualization of osteocyte canalicular system. It has been used as an adsorbate in the biosorption by Bacillus subtilis.

Specifications

Synonyms

Procion Red MX 5B

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

Pubchem Sid

488183087

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183087

Canonical Smiles

C1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)Cl)Cl)O.[Na+].[Na+]

IUPAC Name

disodium;5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonate

InChIKey

XWZDJOJCYUSIEY-UHFFFAOYSA-L

INCHI

1S/C19H12Cl2N6O7S2.2Na/c20-17-23-18(21)25-19(24-17)22-12-8-11(35(29,30)31)6-9-7-13(36(32,33)34)15(16(28)14(9)12)27-26-10-4-2-1-3-5-10;;/h1-8,28H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25);;/q;2*+1/p-2

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)Cl)Cl)O.[Na+].[Na+]

WGK Germany

2

RTECS

QJ6416000

PubChem CID

28781

Molecular Weight

615.33

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 1-sulfo,2-unsubstituted aromatic compounds Phenoxides Aminotriazines Chloro-s-triazines Aryl chlorides Sulfonyls Organosulfonic acids Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic metal halides Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Amines Organochlorides Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Amino-1,3,5-triazine - Chloro-s-triazine - Halo-s-triazine - Aminotriazine - Phenoxide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Triazine - 1,3,5-triazine - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic alkali metal salt - Azacycle - Organoheterocyclic compound - Organic metal halide - Amine - Organic sodium salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic 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: 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

Chemical and Physical Properties

• Solubility: Soluble in water (partly).
• Refractive Index: n20D1.80 (Predicted)
• Melt Point(°C): >300° C (lit.)
• Molecular Weight: 615.300 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 613.922 Da
• Monoisotopic Mass: 613.922 Da
• Topological Polar Surface Area: 227.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 968.000
• 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

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