CI 45010

Base Information

• Chemical Name: CI 45010
• CAS No.: 2150-48-3
• Molecular Formula: C21H27 N2 O . Cl
• Molecular Weight: 521.117
• Hs Code.: 29329990
• European Community (EC) Number: 218-429-9
• NSC Number: 44690
• UNII: N3P889IX5O
• DSSTox Substance ID: DTXSID1062209
• Wikidata: Q27162518
• ChEMBL ID: CHEMBL1973844
• Mol file: 2150-48-3.mol

Synonyms:Ammonium,[6-(diethylamino)-3H-xanthen-3-ylidene]diethyl-, chloride (8CI); Ethanaminium,N-[6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethyl-, chloride; Pyronine B (6CI);Xanthylium, 3,6-bis(diethylamino)-, chloride (9CI);[6-(Diethylamino)-3H-xanthen-3-ylidene]diethylammonium chloride (7CI); C.I.45010; Pyronin B; Pyronine B(By)

Chemical Property of CI 45010

Chemical Property:

• Melting Point: 174-176 ºC
• PSA: 19.39000
• LogP: 1.19980
• Storage Temp.: Store at RT.
• Solubility.: Soluble in water, ethyl acetate, methyl acetate, ethylene glycol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 358.1811912
• Heavy Atom Count: 25
• Complexity: 530

Purity/Quality:

98%,99%, ^*data from raw suppliers

Pyronin B Certified ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 68-40-20/21/22
• Safety Statements: 45-36/37-24/25-22-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Dyes -> Acridine Dyes
• Canonical SMILES: CCN(CC)C1=CC2=C(C=C1)C=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]
• Uses: Pyronin B is used in the methyl green-pyronin method for coloration of nucleic acids. Pyronin B Ferric Chloride Complex is used in the methyl green-pyronin method for differential coloration of nucleic acids. Dyes and metabolites.

Technology Process of CI 45010

There total 6 articles about CI 45010 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: 97.0%

pyronine B (2150-48-3) → pyronine B (2150-48-3)

Guidance literature:

With iron(III) chloride; In water; at 20 ℃; for 0.5h; Product distribution / selectivity;

Reference yield: 80.0%

N,N,N,N-tetraethyl-9H-xanthene-3,6-diamine (916308-37-7) → pyronine B (2150-48-3)

Guidance literature:

With hydrogenchloride; In ethanol; for 1h; Irradiation;

DOI:10.1016/j.dyepig.2012.03.034

Reference yield: 75.0%

5,5'-bis-diethylamino-2,2'-methanediyl-di-phenol (6274-83-5) → pyronine B (2150-48-3)

Guidance literature:

5,5'-bis-diethylamino-2,2'-methanediyl-di-phenol; With sulfuric acid; In water; at 5 - 140 ℃; Inert atmosphere;

With sodium hydroxide; In water; at 5 - 20 ℃;

With hydrogenchloride; iron(III) chloride; In water; at 20 - 90 ℃; pH=1;

upstream raw materials:

5,5'-bis-diethylamino-2,2'-methanediyl-di-phenol

hydrogenchloride

formic acid

glycerol

Refernces

• 1、 -. "Nerve agents and the like of the detection reagent and method". Paragraph 0082; 0155-0159. . Retrieved 2018/10/26.
• 2、 -. "3,6-DISUBSTITUTED XANTHYLIUM SALTS". Page/Page column 69. . Retrieved 2010/07/02.