Chromotropic acid , CAS No.148-25-4

CAS: 148-25-4 Cat. No.: C108491 Formule: C₁₀H₈O₈S₂ Poids moléculaire: 320.3 Numéro CE: 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

Spécifications

Synonymes

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

Conditions de stockage de stockage

Protected from light

Expédié en

Normal

Noms et identifiants

Pubchem Sid

528770653

Sourires canoniques

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)

Isomères SMILES

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

PubChem CID

67221

Poids moléculaire

320.3

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 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive.
• Poids moléculaire: 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