Chromotropic acid , CAS No.148-25-4

CAS: 148-25-4 Cat. No.: C108491 Fórmula: C₁₀H₈O₈S₂ Peso molecular: 320.3 Número EC: 205-712-7 PubChem CID: 67221

Synonyms

C.I. 16655 | NSC37043 | NSC-37043 | S596OD720M | EINECS 205-712-7 | F1995-0221 | AC1869 | NSC 37043 | FT-0617187 | 4,5-dihydroxynaphthalene-2,7-disulfonicacid | BBL000842 | 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy- | 4,5-dihydroxy-naphthalene-2,7-dis

Storage

Protected from light

Shipped In

Normal

Especificaciones

Sinónimos

C.I. 16655 | NSC37043 | NSC-37043 | S596OD720M | EINECS 205-712-7 | F1995-0221 | AC1869 | NSC 37043 | FT-0617187 | 4,5-dihydroxynaphthalene-2,7-disulfonicacid | BBL000842 | 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy- | 4,5-dihydroxy-naphthalene-2,7-dis

Condiciones de almacenamiento de almacenamiento

Protected from light

Enviado en

Normal

Nombres e identificadores

Pubchem Sid

528770653

Sonrisas canónicas

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)O)O)S(=O)(=O)O

IUPAC Name

4,5-dihydroxynaphthalene-2,7-disulfonic acid

InChIKey

HLVXFWDLRHCZEI-UHFFFAOYSA-N

INCHI

1S/C10H8O8S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,11-12H,(H,13,14,15)(H,16,17,18)

Isómeros SMILES

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)O)O)S(=O)(=O)O

PubChem CID

67221

Peso molecular

320.3

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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 1-sulfo,2-unsubstituted aromatic compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 1-naphthol - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxide - Aromatic homopolycyclic compound
• Descripción: 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: naphthalenesulfonic acid - naphthalenediols

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: 320.300 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 319.966 Da
• Monoisotopic Mass: 319.966 Da
• Topological Polar Surface Area: 166.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 507.000
• 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