Pigment Red 112 - technical grade , CAS No.6535-46-2

CAS: 6535-46-2 Cat. No.: P342035 Peso molecular: 484.76 Número EC: 229-440-3 PubChem CID: 23034

GRADE & PURITY Technical grade

Synonyms

EINECS 229-440-3 | MFCD00071994 | Disperse Red SDP 110T | Helio Fast Red BBN | C.I. PR 112 | 3-Hydroxy-N-(2-methylphenyl)-4-((2,4,5-trichlorophenyl)azo)-2-nap- hthalenecarboxamide | 3-hydroxy-N-(o-tolyl)-4-[(2,4,5-trichloro-phenyl)azo]naphthalene-2-carbox

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

EINECS 229-440-3 | MFCD00071994 | Disperse Red SDP 110T | Helio Fast Red BBN | C.I. PR 112 | 3-Hydroxy-N-(2-methylphenyl)-4-((2, 4, 5-trichlorophenyl)azo)-2-nap- hthalenecarboxamide | 3-hydroxy-N-(o-tolyl)-4-[(2, 4, 5-trichloro-phenyl)azo]naphthalene-2-carbox

Especificaciones y pureza

technical grade

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Technical grade

Nombres e identificadores

• Pubchem Sid: 488182798
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182798
• Sonrisas canónicas: CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC(=C(C=C4Cl)Cl)Cl
• IUPAC Name: 3-hydroxy-N-(2-methylphenyl)-4-[(2,4,5-trichlorophenyl)diazenyl]naphthalene-2-carboxamide
• InChIKey: JQNJCQYNSLCFAC-UHFFFAOYSA-N
• INCHI: 1S/C24H16Cl3N3O2/c1-13-6-2-5-9-20(13)28-24(32)16-10-14-7-3-4-8-15(14)22(23(16)31)30-29-21-12-18(26)17(25)11-19(21)27/h2-12,31H,1H3,(H,28,32)
• Isómeros SMILES: CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC(=C(C=C4Cl)Cl)Cl
• PubChem CID: 23034
• Peso molecular: 484.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: Toluenes Chlorobenzenes Aryl chlorides Azo compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - Toluene - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• 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

• Sensibilidad: Light sensitive
• Peso molecular: 484.800 g/mol
• XLogP3: 8.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 483.031 Da
• Monoisotopic Mass: 483.031 Da
• Topological Polar Surface Area: 74.100 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 681.000
• 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