Pigment Red 48:4 - technical grade , CAS No.5280-66-0

CAS: 5280-66-0 Cat. No.: P342034 Peso molecular: 420.82 Número EC: 226-102-7 PubChem CID: 62503

GRADE & PURITY Technical grade

Synonyms

4-((5-chloro-4-methyl-2-sulfophenyl)azo)-3-hydroxy-2-naphthalene-carboxylic acid | SCHEMBL2835094 | Q27283555 | SCHEMBL92068 | 2-Naphthalenecarboxylic acid, 4-[(5-chloro-4-methyl-2-sulfophenyl)azo]-3-hydroxy- | UNII-M6D63HNL25 | SCHEMBL5933653 | 2-Naphtha

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-((5-chloro-4-methyl-2-sulfophenyl)azo)-3-hydroxy-2-naphthalene-carboxylic acid | SCHEMBL2835094 | Q27283555 | SCHEMBL92068 | 2-Naphthalenecarboxylic acid, 4-[(5-chloro-4-methyl-2-sulfophenyl)azo]-3-hydroxy- | UNII-M6D63HNL25 | SCHEMBL5933653 | 2-Naphtha

Especificaciones y pureza

technical grade

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Technical grade

Nombres e identificadores

• Pubchem Sid: 504753849
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753849
• Sonrisas canónicas: CC1=CC(=C(C=C1Cl)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O)S(=O)(=O)O
• IUPAC Name: 4-[(5-chloro-4-methyl-2-sulfophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid
• InChIKey: LZNMMJSXOXXHFD-UHFFFAOYSA-N
• INCHI: 1S/C18H13ClN2O6S/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24/h2-8,22H,1H3,(H,23,24)(H,25,26,27)
• Isómeros SMILES: CC1=CC(=C(C=C1Cl)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O)S(=O)(=O)O
• PubChem CID: 62503
• Peso molecular: 420.82

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxylic acids
• Alternative Parents: Naphthols and derivatives Salicylic acid and derivatives Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Toluenes Chlorobenzenes Aryl chlorides Vinylogous acids Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalenecarboxylic acid - 2-naphthol - Benzenesulfonate - Salicylic acid or derivatives - Hydroxybenzoic acid - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Toluene - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Vinylogous acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenecarboxylic acids. These are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused 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): >300° C
• Peso molecular: 420.800 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 420.018 Da
• Monoisotopic Mass: 420.018 Da
• Topological Polar Surface Area: 145.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 711.000
• 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

Referencias

1. Hong Zhang, Xiaodong Yang, Xin Zhang, Lei Wang, Bo Wang, Xu Zeng, Bo Ren.  (2024)  Graphene-based aerogel for efficient oil sorption and water pollution remediation.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2024.134693]