Disperse Red 1 - analytical standard , CAS No.2872-52-8

CAS: 2872-52-8 Cat. No.: D114117 Formula: C₁₆H₁₈N₄O₃ Peso molecolare: 314.34 Beilstein Registry Number: 5353614 Numero EC: 220-704-3

GRADE & PURITY Analytical standard

Synonyms

Eniacyl Scarlet B | Interchem Acetate Scarlet B | Disperse red 1 | SCHEMBL532332 | Acetoquinone Light Scarlet BLZ | 2-[N-ethyl-4-(4-nitrophenyl)azoanilino]ethanol | AKOS015902998 | AKOS040751608 | Celutate Scarlet BH | Reliton Scarlet BA | Cibacet Scarlet

Storage

Room temperature

Shipped In

Normal

Panoramica

Disperse Red 1 is a dipolar chromophore that can be incorporated into aromatic polymers to obtain model electrooptic polymer films.

Specifications

Sinonimi

Eniacyl Scarlet B | Interchem Acetate Scarlet B | Disperse red 1 | SCHEMBL532332 | Acetoquinone Light Scarlet BLZ | 2-[N-ethyl-4-(4-nitrophenyl)azoanilino]ethanol | AKOS015902998 | AKOS040751608 | Celutate Scarlet BH | Reliton Scarlet BA | Cibacet Scarlet

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard analitico

Nomi e identificatori

• Pubchem Sid: 528770127
• Sorrisi canonici: 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
• Isomeri SMILES: CCN(CCO)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
• WGK Germania: 3
• RTECS: KL0320000
• Peso molecolare: 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
    • Classe Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 160-162°C
• Peso molecolare: 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