Disperse Red 1 - Dye content 95 % , CAS No.2872-52-8

CAS: 2872-52-8 Cat. No.: D140971 Molecular Weight: 314.34 Beilstein Registry Number: 5353614 EC Number: 220-704-3

GRADE & PURITY Dye content 95 %

Synonyms

Disperse red 1 | Dispersive Ruby Zh | Acetamine Scarlet B | Celliton Scarlet B | Dispersol Scarlet B | Neosetile Scarlet B | Fenacet Scarlet B | Acetate Fast Scarlet B | Disperse Red Zh | Amacel Scarlet GB | Celliton Red B | Disperse Scarlet B | Disperse

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Disperse Red 1 (DR1) is a non-linear optical (NLO) material which is a chromophore used as an azobenzene dye. It can form a dipole network that can enhance the electro-optic effect of the non-linear components and can also improve the photorefractive effect.This benchmark dipolar chromophore was incorporated into aromatic polymers to obtain model electrooptic polymer films. 

Purpose

DR1 dye can be incorporated into hydroxypropyl cellulose (HPC) matrix which can be used as a coating that finds potential application in light storage and photonics. It can also be used to evaluate the third order non-linear susceptibility (X(3)) for 1,3-indandione based glasses for use in optical frequency conversion. Polytetrafluoroethylene (PTFE) membranes modified using DR1 maintain the mass transport and diffusion properties under direct light irradiation and can be used for water desalination applications.

Specifications

Synonyms

Disperse red 1 | Dispersive Ruby Zh | Acetamine Scarlet B | Celliton Scarlet B | Dispersol Scarlet B | Neosetile Scarlet B | Fenacet Scarlet B | Acetate Fast Scarlet B | Disperse Red Zh | Amacel Scarlet GB | Celliton Red B | Disperse Scarlet B | Disperse

Specifications & Purity

Dye content 95 %

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CCN(CCO)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
• IUPAC Name: 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
• InChIKey: FOQABOMYTOFLPZ-UHFFFAOYSA-N
• INCHI: 1S/C16H18N4O3/c1-2-19(11-12-21)15-7-3-13(4-8-15)17-18-14-5-9-16(10-6-14)20(22)23/h3-10,21H,2,11-12H2,1H3
• Isomeric SMILES: CCN(CCO)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
• WGK Germany: 3
• RTECS: KL0320000
• Molecular Weight: 314.34
• Beilstein: 5353614
• Reaxy-Rn: 762919
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=762919&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Dialkylarylamines Aniline and substituted anilines Azo compounds 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary alcohols Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Nitrobenzene - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - Azo compound - C-nitro compound - 1,2-aminoalcohol - Tertiary amine - Alkanolamine - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic salt - Organic oxygen compound - Primary alcohol - Amine - Alcohol - Organic zwitterion - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): 160-162°C
• Molecular Weight: 314.340 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 314.138 Da
• Monoisotopic Mass: 314.138 Da
• Topological Polar Surface Area: 94.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 383.000
• 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: 1