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

CAS: 2872-52-8 Cat. No.: D140971 Fórmula: C₁₆H₁₈N₄O₃ Peso molecular: 314.34 Beilstein Registry Number: 5353614 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

Dye content 95 %

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Nombres e identificadores

Pubchem Sid

528770128

Sonrisas canónicas

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

Isómeros SMILES

CCN(CCO)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]

WGK Alemania

3

RTECS

KL0320000

Peso molecular

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
    • Clase Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 160-162°C
• Peso molecular: 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