OrangeⅠ - indicator, pH 7.6-8.9 , CAS No.523-44-4

CAS: 523-44-4 Cat. No.: O113229 分子式: C₁₆H₁₁N₂NaO₄S 分子量: 350.32 Beilstein Registry Number: 3826844 EC番号: 208-346-6

GRADE & PURITY Indicator, pH 7.6-8.9

Synonyms

DTXSID001027205 | FD And C Orange No. 1 | Hispacid Orange 1 | Tropaeolin 000 No. 1, for microscopy (Hist.), indicator (pH 7.6-8.9) | A.F. Orange No. 1 | Dye Orange No. 1 | FD&C Orange Number 1 | Oranz kysela 20 | AKOS009156714 | Acid Leather Orange I | Ac

Storage

Room temperature

Shipped In

Normal

概要

Staining of proteins

Specifications

同義語

DTXSID001027205 | FD And C Orange No. 1 | Hispacid Orange 1 | Tropaeolin 000 No. 1, for microscopy (Hist.), indicator (pH 7.6-8.9) | A.F. Orange No. 1 | Dye Orange No. 1 | FD&C Orange Number 1 | Oranz kysela 20 | AKOS009156714 | Acid Leather Orange I | Ac

仕様と純度

indicator, pH 7.6-8.9

保管条件

Room temperature

入荷

Normal

等級

指標

名前と識別子

• パブケム・シド: 488202958
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488202958
• カノニカル・スマイル: C1=CC=C2C(=C1)C(=CC=C2O)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;4-[(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate
• InChIKey: AZLXCBPKSXFMET-UHFFFAOYSA-M
• INCHI: 1S/C16H12N2O4S.Na/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22;/h1-10,19H,(H,20,21,22);/q;+1/p-1
• 異性体SMILES: C1=CC=C2C(=C1)C(=CC=C2O)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]
• WGKドイツ: 3
• RTECS: DB7085000
• 分子量: 350.32
• Beilstein: 3826844
• Reaxy-Rn: 3826844
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3826844&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Phenoxides Sulfonyls Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Benzenesulfonate - Naphthalene - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Phenoxide - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

• 分子量: 350.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 350.034 Da
• Monoisotopic Mass: 350.034 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 529.000
• 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: 2

XLogP3

参考文献

1. Liping Huang, Xiaoyu Lou, Xinmin Wang, Zhantao Cai, Zhou Yu, Guoyang Zhang.  (2026)  Harnessing photogenerated organic radicals from methyl-substituted acetylacetone for highly efficient selective degradation of azo dyes.  JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY,      [PMID:] [10.1016/j.jiec.2026.02.027]