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5-Methylphenazinium methosulfate

  • Name 5-Methylphenazinium methosulfate
  • EINECS206-072-1
  • CAS No. 299-11-6
  • Density1.3395 (rough estimate)
  • PSA91.58000
  • LogP2.38630
  • Solubilitywater: 0.2 g/mL at 20 °C, clear, deep orange
  • Melting Point158-160 °C (dec.)(lit.)
  • FormulaC13H11N2.CH3O4S
  • Boiling PointN/A
  • Molecular Weight306.342
  • Flash PointN/A
  • Transport InformationN/A
  • Appearanceorange to light brown crystals or powder
  • Safety26-36/37/39-53-45
  • Risk Codes36/37/38-68-46
  • Molecular Structure
    Molecular Structure of 299-11-6 (5-Methylphenazinium methosulfate)
  • Hazard SymbolsHarmfulXn,ToxicT,IrritantXi
  • SynonymsHarmfulXn,ToxicT,IrritantXi
  • Article Data7

5-Methylphenazinium methosulfate Consensus Reports

Reported in EPA TSCA Inventory.

5-Methylphenazinium methosulfate Specification

The CAS registry number of 5-Methylphenazinium methosulfate is 299-11-6. Its EINECS registry number is 206-072-1. The IUPAC name is 5-methylphenazin-5-ium; methyl sulfate. In addition, the molecular formula is C13H11N2.CH3O4S and the molecular weight is 306.34. It is also called Phenazinium, 5-methyl-, methyl sulfate. What's more, it is a kind of orange to light brown crystals or powder and belongs to the class of Sulphur Derivatives.

Physical properties about this chemical are: (1)#H bond acceptors: 2; (2)Polar Surface Area: 16.77 Å2; (3)H-Bond Acceptor: 5; (4)Exact Mass: 306.067428; (5)MonoIsotopic Mass: 306.067428; (6)Topological Polar Surface Area: 91.6; (7)Heavy Atom Count: 21; (8)Complexity: 297; (9)Covalently-Bonded Unit Count: 2.

Preparation of 5-Methylphenazinium methosulfate: it can be prepared by phenazine and sulfuric acid dimethyl ester. This reaction is s kind of alkylation reaction and will need solvent nitrobenzene. The reaction time is 7 minutes at reaction temperature of 100 °C. The yield is about 75%.

5-Methylphenazinium methosulfate can be prepared by phenazine and sulfuric acid dimethyl ester

Uses of 5-Methylphenazinium methosulfate: it can be used as electronic receptors for testing enzyme. And it can be used to get 5-methyl-5,10-dihydro-phenazine. This reaction will need reagent sodium dithionite and solvent ethanol. The yield is about 87%. The reaction is a kind of reduction reaction.

5-Methylphenazinium methosulfate can be used to get 5-methyl-5,10-dihydro-phenazine

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may cause heritable genetic damage. And it may has risk of irreversible effects. You should avoid exposure - obtain special instruction before use. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]S(=O)(=O)OC.n1c3c([n+](c2c1cccc2)C)cccc3
(2)InChI: InChI=1/C13H11N2.CH4O4S/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15;1-5-6(2,3)4/h2-9H,1H3;1H3,(H,2,3,4)/q+1;/p-1
(3)InChIKey: RXGJTUSBYWCRBK-REWHXWOFAY

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 19mg/kg (19mg/kg)   Farmakologiya i Toksikologiya Vol. 7, Pg. 163, 1972.

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