Metanil yellow - Ph.Eur. , CAS No.587-98-4

CAS: 587-98-4 Cat. No.: M433004 Peso molecular: 375.38 Beilstein Registry Number: 3831568 Número EC: 209-608-2

GRADE & PURITY Ph.Eur.

Synonyms

METANIL YELLOW [MI] | Metanil Yellow F | Metanil Yellow KRSU | Basacid Yellow 232 | Benzenesulfonic acid, m-((p-anilinophenyl)azo)-, sodium salt | Calcocid Yellow MXXX | NSC-9292 | Sodium 3-(p-anilinophenylazo)benzenesulphonate | Sodium 4'-anilinoazobenze

Storage

Room temperature

Specifications

Sinónimos

METANIL YELLOW [MI] | Metanil Yellow F | Metanil Yellow KRSU | Basacid Yellow 232 | Benzenesulfonic acid, m-((p-anilinophenyl)azo)-, sodium salt | Calcocid Yellow MXXX | NSC-9292 | Sodium 3-(p-anilinophenylazo)benzenesulphonate | Sodium 4'-anilinoazobenze

Especificaciones y pureza

Ph.Eur.

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Ph.Eur.

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;3-[(4-anilinophenyl)diazenyl]benzenesulfonate
• InChIKey: NYGZLYXAPMMJTE-UHFFFAOYSA-M
• INCHI: 1S/C18H15N3O3S.Na/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14;/h1-13,19H,(H,22,23,24);/q;+1/p-1
• Isómeros SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]
• WGK Alemania: 1
• RTECS: DB7329500
• Peso molecular: 375.38
• Beilstein: 3831568
• Reaxy-Rn: 3831568
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3831568&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Sulfonyls Organosulfonic acids Azo compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Secondary amine - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Amine - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic sodium salt - Organic salt - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• External Descriptors: organic sodium salt

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: 25g/L
• Peso molecular: 375.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 375.065 Da
• Monoisotopic Mass: 375.065 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 538.000
• 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

Referencias

1. Yan Li, Yun Liu, Ziqian Liu, Xin Wan, Hui Chen, Jinrong Zhong, Yue-Fei Zhang.  (2022)  Efficient selective recycle of acid blue 93 by NaOH activated acrolein/chitosan adsorbent via size-matching effect.  CARBOHYDRATE POLYMERS,      [PMID:36436846] [10.1016/j.carbpol.2022.120314]

2. Meng Fanqiu, Wang Luyan, Pei Meishan, Guo Wenjuan, Liu Guoran.  (2017)  Adsorption of metanil yellow from aqueous solution using polyaniline-bentonite composite.  COLLOID AND POLYMER SCIENCE,  295  (7): (1165-1175).  [PMID:] [10.1007/s00396-017-4098-5]

3. Rui Xin, Bingyin Jiang, Hongyang Ma, Ao Zhang, Madani Khan, Benjamin S. Hsiao.  (2024)  Highly permeable nanofibrous polyamide membranes for multi-component wastewater treatment: Exploration of multiple separation mechanism.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2024.111894]

4. Tao Zhang, Xin Wan, Hui Chen, Jiaqi Luo, Yi Ran, Lingying Xie, Yan Li, Yue-Fei Zhang.  (2024)  Incorporation of copper ion promoted adsorption of anionic dye (Acid Yellow 36) by acrolein-crosslinked polyethyleneimine/chitosan hydrogel: Adsorption, dynamics, and mechanisms.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:38906358] [10.1016/j.ijbiomac.2024.133281]

5. Wen Sun, Hui Li, Han Wang, Shan Xiao, Jihui Wang, Liang Feng.  (2015)  Sensitivity enhancement of pH indicator and its application in the evaluation of fish freshness.  TALANTA,      [PMID:26078139] [10.1016/j.talanta.2015.05.021]

6. Na Meng, Jinxin Liu, Jialing Mi, Xuan Chen, Rong Rong, Junjie Hang, Zihan Jiang.  (2025)  Preparation of Highly Antibacterial MXene Nanofiltration Membranes and Investigation of Their Separation Performance.  Polymers,  17  (11): (1493).  [PMID:40508736] [10.3390/polym17111493]