Disodium 3-Hydroxy-2,7-naphthalenedisulfonate - ≥85%(HPLC) , CAS No.135-51-3

CAS: 135-51-3 Cat. No.: D154558 Peso molecular: 348.25 Beilstein Registry Number: 3643180 Número EC: 205-196-3

GRADE & PURITY ≥85%(HPLC)

Synonyms

AS-15462 | SCHEMBL448933 | 2-Naphthol-3,6-disulfonic acid, disodium salt | CCRIS 7448 | R-salt | 3-Hydroxynaphthalene-2,7-disulfonicacid disodium salt | Disodium 2-naphthol-3,6-disulfonate | DTXCID6024543 | 2,7-NAPHTHALENEDISULFONIC ACID, 3-HYDROXY-, DISO

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AS-15462 | SCHEMBL448933 | 2-Naphthol-3, 6-disulfonic acid, disodium salt | CCRIS 7448 | R-salt | 3-Hydroxynaphthalene-2, 7-disulfonicacid disodium salt | Disodium 2-naphthol-3, 6-disulfonate | DTXCID6024543 | 2, 7-NAPHTHALENEDISULFONIC ACID, 3-HYDROXY-, DISO

Especificaciones y pureza

≥85%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥85%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504751714
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751714
• Sonrisas canónicas: C1=CC(=CC2=CC(=C(C=C21)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;3-hydroxynaphthalene-2,7-disulfonate
• InChIKey: VNEBWJSWMVTSHK-UHFFFAOYSA-L
• INCHI: 1S/C10H8O7S2.2Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
• Isómeros SMILES: C1=CC(=CC2=CC(=C(C=C21)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• WGK Alemania: 3
• RTECS: QJ6477000
• Peso molecular: 348.25
• Beilstein: 3643180
• Reaxy-Rn: 3643184
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3643184&ln=

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-2-unsubstituted benzenoids Sulfonyls Organosulfonic acids Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonate - 2-naphthalene sulfonic acid or derivatives - 2-naphthol - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic alkali metal salt - Organic oxygen compound - Organic salt - Organic sodium salt - 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: 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

• Solubilidad: Soluble in water and ethanol, insoluble in ether
• Peso molecular: 348.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 347.935 Da
• Monoisotopic Mass: 347.935 Da
• Topological Polar Surface Area: 151.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 501.000
• 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: 3

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