Tolonium chloride

Base Information

• Chemical Name: Tolonium chloride
• CAS No.: 92-31-9
• Deprecated CAS: 1336-01-2,21785-03-5,24684-06-8,1335204-66-4,1374634-69-1,2043361-07-3,93211-79-1,1335204-66-4,21785-03-5
• Molecular Formula: C15H16ClN3S
• Molecular Weight: 305.831
• Hs Code.: 32041300
• European Community (EC) Number: 202-146-2
• NSC Number: 760421,11225,36758
• UNII: 15XUH0X66N
• DSSTox Substance ID: DTXSID9048728
• Wikipedia: Toluidine_blue
• Wikidata: Q80868
• NCI Thesaurus Code: C87726
• Pharos Ligand ID: 2ATTJW93LFL1
• ChEMBL ID: CHEMBL562639,CHEMBL1790006
• Mol file: 92-31-9.mol

Synonyms:Blue O, Toluidine;Blue, Toluidine;Chloride, Tolonium;CI 52040;CI-52040;CI52040;Tolonium Chloride;Toluidine Blue;Toluidine Blue O

Chemical Property of Tolonium chloride

Chemical Property:

• Appearance/Colour: green powder
• Melting Point: >200℃
• PKA: 2.4, 11.6(at 25℃)
• PSA: 70.39000
• LogP: 1.27240
• Storage Temp.: Store at RT.
• Solubility.: H2O: soluble1mg/mL
• Water Solubility.: 3.82 g/100 mL
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 305.0753464
• Heavy Atom Count: 20
• Complexity: 512

Purity/Quality:

98% ^*data from raw suppliers

Toluidine Blue O, Certified ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Dyes -> Azine Dyes
• Canonical SMILES: CC1=CC2=C(C=C1N)SC3=CC(=[N+](C)C)C=CC3=N2.[Cl-]
• Recent ClinicalTrials: Effects of Antimicrobial Photodynamic Therapy on Regeneration of Class II Furcation Lesions
• Recent NIPH Clinical Trials: Treatment of halitosis with photodynamic therapy
• Uses: hemostatic A metachromatic dye suitable for a wide variety of histological staining procedures. Direct dyeing, printing of wool, silk. Biological stain.

Technology Process of Tolonium chloride

There total 1 articles about Tolonium chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

o-toluidine hydrochloride (636-21-5,22006-17-3) + 4-dimethylaminophenylamine dihydrochloride (536-46-9,13806-04-7) → C14H14N3S(1+)*Cl(1-) (225091-67-8) + C15H16N3S(1+)*Cl(1-) (225091-65-6) + C14H14N3S(1+)*Cl(1-) (225091-66-7) + toluidine blue (92-31-9)

Guidance literature:

With hydrogenchloride; potassium dichromate; aluminum(III) sulfate; copper(II) sulfate; zinc(II) chloride; sodium hyposulfite; In water;

Reference yield: 66.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1,3,5-tri(hydroxymethyl)-1,3,5-triaza-2,4,6-cyclohexanetrione (10471-40-6) + toluidine blue (92-31-9) → 3-[(3,5-Bis-hydroxymethyl-2,4,6-trioxo-[1,3,5]triazinan-1-ylmethoxymethyl)-amino]-7-dimethylamino-2-methyl-phenothiazin-5-ylium; chloride (136582-31-5)

Guidance literature:

In water; at 70 ℃; for 2h;

upstream raw materials:

o-toluidine hydrochloride

4-dimethylaminophenylamine dihydrochloride

Downstream raw materials:

3-[(3,5-Bis-hydroxymethyl-2,4,6-trioxo-[1,3,5]triazinan-1-ylmethoxymethyl)-amino]-7-dimethylamino-2-methyl-phenothiazin-5-ylium; chloride

Refernces