2-(6-Amino-3-imino-3H-xanthen-9-yl)benzoic acid hydrochloride

Base Information

• Chemical Name: 2-(6-Amino-3-imino-3H-xanthen-9-yl)benzoic acid hydrochloride
• CAS No.: 13558-31-1
• Molecular Formula: C20H15ClN2O3
• Molecular Weight: 366.804
• Hs Code.: 29329990
• European Community (EC) Number: 236-944-7
• DSSTox Substance ID: DTXSID90921578
• Wikidata: Q27123374
• Mol file: 13558-31-1.mol

Synonyms:rhodamine 110

Chemical Property of 2-(6-Amino-3-imino-3H-xanthen-9-yl)benzoic acid hydrochloride

Chemical Property:

• Appearance/Colour: red to bordeaux crystals or crystalline powder
• Vapor Pressure: 1.06E-16mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Refractive Index: 1.6470 (estimate)
• Boiling Point: 629.3°C at 760 mmHg
• Flash Point: 334.4°C
• PSA: 100.31000
• Density: 1.2504 (rough estimate)
• LogP: 5.44740
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: ethanol: soluble
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 366.0771200
• Heavy Atom Count: 26
• Complexity: 691

Purity/Quality:

99%, ^*data from raw suppliers

Rhodamine110 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 22-24/25-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Dyes -> Rhodamine Dyes
• Canonical SMILES: C1=CC=C(C(=C1)C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N)C(=O)O.Cl
• Description: Rhodamine 110 is a green fluorescent cationic dye with excitation and emission maxima of 496 and 520 nm, respectively. When incorporated with a hydrolytic substrate (e.g., proteinase or peptidase substrates), it can be used as a highly sensitive detection reagent in fluorescence-based enzyme assays. Rhodamine 110 has also been used in a fluorescence quenching method for determining trace nitrite and as a probe for cytochrome P450 activity.
• Uses: Rhodamine 110 is a fluorescent dye used as AP- and exopeptidase substrates for flow cytometric measurements. Rhodamine 110 is a fluorescent dye used as AP- and exopeptidase substrates for flow cytometric measurements. Dyes and metabolites.

Technology Process of 2-(6-Amino-3-imino-3H-xanthen-9-yl)benzoic acid hydrochloride

There total 11 articles about 2-(6-Amino-3-imino-3H-xanthen-9-yl)benzoic acid hydrochloride 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: 100.0%

→ rhodamine 110 hydrochloride salt (13558-31-1)

Guidance literature:

With triethylamine; In [⁽²⁾H₆]acetone; water;

Reference yield: 91.0%

3,6-diazidoxanthene-9-spiro-1'-isobenzofuran-3'(1'H)-one → rhodamine 110 chloride (13558-31-1)

Guidance literature:

With thiophenol; sodium L-ascorbate; In dimethyl sulfoxide; at 37 ℃; for 1h; pH=7.25; aq. phosphate buffer;

DOI:10.1002/cbic.201100719

Reference yield: 17.0%

phthalic anhydride (85-44-9) + m-Hydroxyaniline (591-27-5) → rhodamine 110 chloride (13558-31-1)

Guidance literature:

With sulfuric acid; at 180 ℃; for 5h;

DOI:10.1002/chem.201803234

upstream raw materials:

rhodamine B

oxygen

phthalic anhydride

m-Hydroxyaniline

Downstream raw materials:

bis-N,N′-benzyloxycarbonylrhodamine 110

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