Arsenazo I - AR , CAS No.66019-20-3

CAS: 66019-20-3 Cat. No.: A110709 分子式: C₁₆H₁₀AsN₂Na₃O₁₁S₂ 分子量: 614.28 EC番号: 266-069-6

グレード＆純度 AR

Synonyms

ARSENAZO I 3-HYDRATE | Arsenazo I hydrate | sodium (E)-3-((2-(hydrogenarsonato)phenyl)diazenyl)-4,5-dihydroxynaphthalene-2,7-disulfonate | AKOS015902816 | D89681 | trisodium;4,5-dihydroxy-3-[[2-[hydroxy(oxido)arsoryl]phenyl]diazenyl]naphthalene-2,7-disulf

Shipped In

Normal

仕様

同義語

ARSENAZO I 3-HYDRATE | Arsenazo I hydrate | sodium (E)-3-((2-(hydrogenarsonato)phenyl)diazenyl)-4,5-dihydroxynaphthalene-2,7-disulfonate | AKOS015902816 | D89681 | trisodium;4,5-dihydroxy-3-[[2-[hydroxy(oxido)arsoryl]phenyl]diazenyl]naphthalene-2,7-disulf

仕様と純度

AR

入荷

Normal

等級

AR

名前と識別子

パブケム・シド

488192196

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488192196

カノニカル・スマイル

C1=CC=C(C(=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)[As](=O)(O)[O-].[Na+].[Na+].[Na+]

IUPAC Name

trisodium;4,5-dihydroxy-3-[[2-[hydroxy(oxido)arsoryl]phenyl]diazenyl]naphthalene-2,7-disulfonate

InChIKey

NBVFGAJJMPGDDH-UHFFFAOYSA-K

INCHI

1S/C16H13AsN2O11S2.3Na/c20-12-7-9(31(25,26)27)5-8-6-13(32(28,29)30)15(16(21)14(8)12)19-18-11-4-2-1-3-10(11)17(22,23)24;;;/h1-7,20-21H,(H2,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-3

異性体SMILES

C1=CC=C(C(=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)[As](=O)(O)[O-].[Na+].[Na+].[Na+]

UN番号

3280

分子量

614.28

Reaxy-Rn

5714331

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5714331&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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 1-sulfo,2-unsubstituted aromatic compounds Phenoxides Pentaorganoarsanes Sulfonyls Organosulfonic acids Azo compounds Sulfur-containing organoarsenic compounds Propargyl-type 1,3-dipolar organic compounds Oxygen-containing organoarsenic compounds Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenoxide - Monocyclic benzene moiety - Pentaorganoarsane - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Oxygen-containing organoarsenic compound - Sulfur-containing organoarsenic compound - Organic alkali metal salt - Organic metalloid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic sodium salt - Organic salt - Organic metalloid moeity - Organoarsenic compound - Organic cation - Aromatic homopolycyclic compound
• 説明: 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

化学的性質と物理的性質

• 感度: Moisture sensitive.
• 融点（°C）: >300°C
• 分子量: 614.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 3
• Exact Mass: 613.864 Da
• Monoisotopic Mass: 613.864 Da
• Topological Polar Surface Area: 257.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 942.000
• 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: 4

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