Reactive red 120 - Dye content ≥50% , CAS No.61951-82-4

CAS: 61951-82-4 Cat. No.: R338921 Fórmula: C₄₄H₂₄Cl₂N₁₄Na₆O₂₀S₆ Número CE: 263-351-0

GRADE & PURITY Dye content ≥50%

Synonyms

Reactive Red 120 | (3Z,3'Z)-5,5'-{benzene-1,4-diylbis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]}bis{4-oxo-3-[(2-sulfophenyl)hydrazono]-3,4-dihydronaphthalene-2,7-disulfonic acid} | ProcionRedHEB | Reactive Brilliant Red Ke-3b

Storage

Room temperature

Shipped In

Normal

Visão geral

Reactive red 120 is a polyaromatic azo organosulfur dye.

Specifications

Sinónimos

Reactive Red 120 | (3Z,3'Z)-5,5'-{benzene-1,4-diylbis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]}bis{4-oxo-3-[(2-sulfophenyl)hydrazono]-3,4-dihydronaphthalene-2,7-disulfonic acid} | ProcionRedHEB | Reactive Brilliant Red Ke-3b

Especificações e pureza

Dye content ≥50%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

Pubchem Sid

528772939

Sorrisos canónicos

Oc1c(\N=N\c2ccccc2S(O)(=O)=O)c(cc3cc(cc(Nc4nc(Cl)nc(Nc5ccc(Nc6nc(Cl)nc(Nc7cc(cc8cc(c(\N=N\c9ccccc9S(O)(=O)=O)c(O)c78)S(O)(=O)=O)S(O)(=O)=O)n6)cc5)n4)c13)S(O)(=O)=O)S(O)(=O)=O

IUPAC Name

5-[[4-chloro-6-[4-[[4-chloro-6-[[8-hydroxy-3,6-disulfo-7-[(2-sulfophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid

InChIKey

OVSNDJXCFPSPDZ-UHFFFAOYSA-N

INCHI

1S/C44H30Cl2N14O20S6/c45-39-51-41(55-43(53-39)49-27-17-23(81(63,64)65)13-19-15-31(85(75,76)77)35(37(61)33(19)27)59-57-25-5-1-3-7-29(25)83(69,70)71)47-21-9-11-22(12-10-21)48-42-52-40(46)54-44(56-42)50-28-18-24(82(66,67)68)14-20-16-32(86(78,79)80)36(38(62)34(20)28)60-58-26-6-2-4-8-30(26)84(72,73)74/h1-18,61-62H,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H2,47,49,51,53,55)(H2,48,50,52,54,56)

SMILES isoméricas

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)NC5=CC=C(C=C5)NC6=NC(=NC(=N6)Cl)NC7=C8C(=CC(=C7)S(=O)(=O)O)C=C(C(=C8O)N=NC9=CC=CC=C9S(=O)(=O)O)S(=O)(=O)O)Cl)O)S(=O)(=O)O

WGK Alemanha

3

Termos de entrada MeSH

C44H24Cl2N14Na6O20S6

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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 Naphthols and derivatives Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aniline and substituted anilines 1-hydroxy-4-unsubstituted benzenoids Aminotriazines Chloro-s-triazines Aryl chlorides Sulfonyls Organosulfonic acids Heteroaromatic compounds Azo compounds Azacyclic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organochlorides Organooxygen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthol - Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Aniline or substituted anilines - Amino-1,3,5-triazine - Chloro-s-triazine - 1-hydroxy-4-unsubstituted benzenoid - Halo-s-triazine - Aminotriazine - Triazine - Aryl chloride - Aryl halide - 1,3,5-triazine - Monocyclic benzene moiety - Sulfonyl - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Azo compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrição: 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: bis(azo) compound - azobenzenes - diamino-1,3,5-triazine - chloro-1,3,5-triazine - naphthalenesulfonic acid

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water (60-70 mg/ml at 20° C), and 50% ethanol (1 mg/ml).
• Índice de refração: n20D1.86 (Predicted)
• Ponto de fusão (°C): >350° C
• Peso molecular: 1338.100 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 34
• Rotatable Bond Count: 18
• Exact Mass: 1335.95 Da
• Monoisotopic Mass: 1335.95 Da
• Topological Polar Surface Area: 592.000 Ų
• Heavy Atom Count: 86
• Formal Charge: 0
• Complexity: 2910.000
• 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