Name: Rhodamine 123
SKU: 62669-70-9

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Basic Information

Molecular Structure:
CAS No.:	62669-70-9
Name:	Rhodamine 123
Article Data:	4

Formula:	C₂₁H₁₇ClN₂O₃
Molecular Weight:	380.831
Synonyms:	Benzoicacid, 2-(6-amino-3-imino-3H-xanthen-9-yl)-, methyl ester, monohydrochloride;Xanthylium, 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]-, chloride (9CI);R22420;R 302;RH 123;Rhodamine 123;
EINECS:	263-687-8
Density:	1.2224 (rough estimate)
Melting Point:	235 °C
Solubility:	ethanol: 20 mg/mL, clear, red
Appearance:	Red to brown powder.
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	22-24/25
PSA:	89.31000
LogP:	5.53580

Synthetic route

: 67-56-1
methanol

: 13558-31-1
rhodamine 110 chloride

: 62669-70-9
rhodamin 123

Conditions

Conditions	Yield
With hydrogenchloride 1.) reflux, 6 h, 2.) RT, overnight;
With sulfuric acid at 50℃; Esterification;
With acetyl chloride at 50℃; Fischer esterification;

: 109244-58-8
Dihydrorhodamine 123

: 62669-70-9
rhodamin 123

Conditions

Conditions	Yield
In acetone Electrochemical reaction;

: 62669-70-9
rhodamin 123

: 2'-(6-amino-4,5-dibromo-3-imino-3H-xanthen-9-yl)benzoic acid methyl ester hydrochloride

Conditions

Conditions	Yield
With bromine In ethanol for 73.5h; Ambient temperature;	100%

: 10025-99-7
potassium tetrachloroplatinate(II)

: 62669-70-9
rhodamin 123

: 104114-29-6
bis(rhodamine 123)tetrachloroplatinate(II) tetrahydrate

Conditions

Conditions	Yield
In water stirring (30 min, pptn.); filtration, washing (H2O, 1N HCl, EtOH, ether), drying (vac.); elem. anal.;	78%

: 62669-70-9
rhodamin 123

: 2-(6-Amino-3-imino-2,7-diiodo-3H-xanthen-9-yl)-benzoic acid methyl ester; hydrochloride

Conditions

Conditions	Yield
With Iodine monochloride In tetrahydrofuran for 5h; Ambient temperature;	76%

: 62669-70-9
rhodamin 123

: 2-(6-Amino-2,7-dibromo-3-imino-3H-xanthen-9-yl)-benzoic acid methyl ester; hydrochloride

Conditions

Conditions	Yield
With bromine In ethanol at -40℃; for 2h;	76%

: 62669-70-9
rhodamin 123

: 2-(6-Amino-2-bromo-3-imino-3H-xanthen-9-yl)-benzoic acid methyl ester; hydrochloride

Conditions

Conditions	Yield
With bromine In ethanol for 1h;	62%

: 62669-70-9
rhodamin 123

: 2-(6-Amino-2,4,5,7-tetrabromo-3-imino-3H-xanthen-9-yl)-benzoic acid methyl ester; hydrochloride

Conditions

Conditions	Yield
With bromine In ethanol for 2h; Ambient temperature;	56.45%

: 62669-70-9
rhodamin 123

: 2-(6-Amino-3-imino-2-iodo-3H-xanthen-9-yl)-benzoic acid methyl ester; hydrochloride

Conditions

Conditions	Yield
With Iodine monochloride In tetrahydrofuran for 5h; Ambient temperature;	34%

: 62669-70-9
rhodamin 123

: 109244-58-8
Dihydrorhodamine 123

Conditions

Conditions	Yield
With sodium tetrahydroborate In dichloromethane; water for 1h;

Raw Materials

13558-31-1

67-56-1

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Specification

The Rhodamine 123, with CAS registry number 62669-70-9, has the systematic name of 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]xanthenium chloride. This chemical is a kind of red-brown to brown or dark green powder. And its classification codes are Coloring Agents, Fluorescent dyes, Indicators and Reagents, Luminescent Agents and Reproductive Effect. The main use of this chemical is the treatment of prostate cancer.

Physical properties of Rhodamine 123: (1)#H bond acceptors: 5; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 91.48 Å².

When you are using this chemical, please be cautious about it as the following:
The Rhodamine 123 is harmful if swallowed. When use it, do not breathe dust and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].COC(=O)c4ccccc4c1c3ccc(N)cc3[o+]c2cc(N)ccc12
(2)InChI: InChI=1/C21H17N2O3.ClH/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20;/h2-11H,22-23H2,1H3;1H/q+1;/p-1
(3)InChIKey: TUFFYSFVSYUHPA-REWHXWOFAU
(4)Std. InChI: InChI=1S/C21H17N2O3.ClH/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20;/h2-11H,22-23H2,1H3;1H/q+1;/p-1
(5)Std. InChIKey: TUFFYSFVSYUHPA-UHFFFAOYSA-M