Methyl Red sodium salt - indicator , CAS No.845-10-3

CAS: 845-10-3 Cat. No.: M102296 Molecular Weight: 291.28 Beilstein Registry Number: 16329 EC Number: 212-682-9

GRADE & PURITY Indicator

Synonyms

C.I. 13020 | sodium;2-[[4-(dimethylamino)phenyl]diazenyl]benzoate | SCHEMBL4639900 | sodium 2-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzoate | FT-0628805 | BENZOIC ACID, 2-(2-(4-(DIMETHYLAMINO)PHENYL)DIAZENYL)-, SODIUM SALT | Benzoic acid, 2-[[4-(dimeth

Storage

Protected from light,Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

C.I. 13020 | sodium;2-[[4-(dimethylamino)phenyl]diazenyl]benzoate | SCHEMBL4639900 | sodium 2-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzoate | FT-0628805 | BENZOIC ACID, 2-(2-(4-(DIMETHYLAMINO)PHENYL)DIAZENYL)-, SODIUM SALT | Benzoic acid, 2-[[4-(dimeth

Specifications & Purity

indicator

Biochemical and Physiological Mechanisms

Methyl Red is a pH indicator and it changes color at a pH of 5.5.

Storage

Protected from light, Desiccated, Room temperature

Shipped In

Normal

Grade

Indicator

Names and Identifiers

• Pubchem Sid: 488194887
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194887
• Canonical Smiles: CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)[O-].[Na+]
• IUPAC Name: sodium;2-[[4-(dimethylamino)phenyl]diazenyl]benzoate
• InChIKey: GNTPCYMJCJNRQB-UHFFFAOYSA-M
• INCHI: 1S/C15H15N3O2.Na/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20;/h3-10H,1-2H3,(H,19,20);/q;+1/p-1
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)[O-].[Na+]
• Molecular Weight: 291.28
• Beilstein: 16329
• Reaxy-Rn: 4065488
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4065488&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Benzoic acids Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Carboxylic acid salts Azo compounds Amino acids Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organooxygen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Azobenzene - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Azo compound - Amino acid - Tertiary amine - Amino acid or derivatives - Carboxylic acid salt - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organic sodium salt - Organic salt - Aromatic homomonocyclic compound
• Description: 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: 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

Chemical and Physical Properties

• Solubility: Soluble in water (800 mg/ml at 25°C), and slightly soluble in ethanol at (25°C).
• Sensitivity: Light sensitive.
• Molecular Weight: 291.280 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 291.098 Da
• Monoisotopic Mass: 291.098 Da
• Topological Polar Surface Area: 68.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 355.000
• 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

References

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2. Li-Jun Xu, Xuan-Yu Shi, Meng-Ying Chai, Jian Ji, Zhi-Kang Xu, Ling-Shu Wan.  (2020)  Surface Metallization of Porous Polymer Materials for Multifunctional Applications.  LANGMUIR,      [PMID:31983209] [10.1021/acs.langmuir.9b03701]

3. Guo-Jun Wang, Bai-Heng Wu, Zhi-Kang Xu, Ling-Shu Wan.  (2019)  Janus polymer membranes prepared by single-side polydopamine deposition for dye adsorption and fine bubble aeration.  Materials Chemistry Frontiers,  3  (10): (2102-2109).  [PMID:] [10.1039/C9QM00253G]

4. Panpan Li, Jianguo Zhang, Yongfa Yu, Wenlin Jia, Shuang Zhao.  (2024)  A collaborative coagulation strategy for algae-laden and dye-containing water treatment.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2024.141146]

5. Wan-ru Liu, Yang Yang, Yue Xu, Bing Wang, Guang Zhang, Xin-yu Xu, Yuan-yuan Wang, Chun-min Ma, Na Zhang.  (2026)  Preparation of indicator cards for freshness detection of rice with four different processing degrees during storage based on olfactory visualization technology.  FOOD CHEMISTRY,      [PMID:41579539] [10.1016/j.foodchem.2026.147967]