Chromotrope FB - analytical standard, ≥98% , CAS No.3567-69-9

CAS: 3567-69-9 Cat. No.: C121937 分子式: C₂₀H₁₂N₂Na₂O₇S₂ 分子量: 502.43 EC番号: 222-657-4

GRADE & PURITY Analytical standard, ≥98%

Synonyms

11959 Red | Eurocert Azorubine | Acid Brilliant Rubine A2G conc. | C.I. Acid Red 14, Disodium Salt | Crimson EMBL | Acid Chrome Blue BA-CF | Azo Rubine XX | Disodium 2-(4-sulfo-1-naphthylazo)-1-naphthol-4-sulfonate | Acetacid Red B | Hexacol Carmoisine |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

同義語

11959 Red | Eurocert Azorubine | Acid Brilliant Rubine A2G conc. | C.I. Acid Red 14, Disodium Salt | Crimson EMBL | Acid Chrome Blue BA-CF | Azo Rubine XX | Disodium 2-(4-sulfo-1-naphthylazo)-1-naphthol-4-sulfonate | Acetacid Red B | Hexacol Carmoisine |

仕様と純度

analytical standard, ≥98%

保管条件

Argon charged,Room temperature

入荷

Normal

等級

分析用標準物質

純度

≥98%

名前と識別子

• パブケム・シド: 528776164
• カノニカル・スマイル: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])O.[Na+].[Na+]
• IUPAC Name: disodium;4-hydroxy-3-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
• InChIKey: YSVBPNGJESBVRM-UHFFFAOYSA-L
• INCHI: 1S/C20H14N2O7S2.2Na/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
• 異性体SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])O.[Na+].[Na+]
• WGKドイツ: 2
• RTECS: QK1925000
• 分子量: 502.43
• Reaxy-Rn: 4121348
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4121348&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 1-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 1-naphthalene sulfonates
• Alternative Parents: 1-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Phenoxides Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenoxide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic sodium salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic cation - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-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

作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive;light sensitive
• 引火点（°F）: 437.0 °F
• 引火点（°C）: > 225 °C
• 融点（°C）: 275 °C；λmax：383 nm，515 nm (2nd)
• 分子量: 502.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 501.988 Da
• Monoisotopic Mass: 501.988 Da
• Topological Polar Surface Area: 176.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 854.000
• 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

XLogP3

参考文献

1. Weijun Xie, Yue Zhang, Lei Xu, Dan Xie, Li Jiang, Yanmao Dong, Yan Yuan.  (2023)  Degradation of Organic Dyes by the UCNP/h-BN/TiO2 Ternary Photocatalyst.  ACS Omega,      [PMID:38162774] [10.1021/acsomega.3c01899]

2. Shen Shen, Huimin Li, Jia jia Fu, Hong Bo Wang.  (2022)  Wastewater purification with different precursors of carbon dots dominated titanium dioxide: Mechanism insight.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2022.166162]

3. Zhaopeng Wang, Hui Lv, Yu Zhang, Yanan Li.  (2024)  A sensitive immunochromatography assay based on quantum dot nanobeads for determination of acid orange II.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2024.106485]

4. Xinmiao Xu, Yi Zhang, Yong Chen, Yu Liu.  (2024)  Vapor-Driven Crosslinked Hydroxypropyl-β-Cyclodextrin Electrospun Nanofibrous Membranes for Ultrafast Dye Removal.  Chemistry-Switzerland,  6  (4): (506-516).  [PMID:] [10.3390/chemistry6040029]