Chromotropic acid , CAS No.148-25-4

CAS: 148-25-4 Cat. No.: C108491 Summenformel: C₁₀H₈O₈S₂ Molekulargewicht: 320.3 EG-Nummer: 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

Spezifikationen

Synonyme

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

Verschickt in

Normal

Namen und Kennungen

Pubchem Sid

528770653

Kanonisches Lächeln

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)

Isomere SMILES

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

PubChem CID

67221

Molekulargewicht

320.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Ebene5 Naphthalene sulfonates
          • Ebene6 2-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive.
• Molekulargewicht: 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