Rhodamine 123 supplier | CasNO.62669-70-9

Name
Rhodamine 123
EINECS 263-687-8
CAS No. 62669-70-9
Article Data4
CAS DataBase
Density 1.2224 (rough estimate)
Solubility ethanol: 20 mg/mL, clear, red
Melting Point 235 °C
Formula C₂₁H₁₇ClN₂O₃
Boiling Point
Molecular Weight 380.831
Flash Point
Transport Information
Appearance Red to brown powder.
Safety 22-24/25
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
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;
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;

: 62669-70-9
rhodamin 123

: [125]I-methyl o-(2-iodo-6-amino-3-imino-3H-xanthen-9-yl)benzoate monochloride

Conditions

Conditions	Yield
With peracetic acid; sodium (¹²⁵I)iodide; [131I]-sodium iodide; acetate buffer; sodium acetate for 1h; Ambient temperature; Yield given;

: 62669-70-9
rhodamin 123

: 2-(6-Amino-3-imino-3H-xanthen-9-yl)-benzoic acid methyl ester; compound with perchloric acid

Conditions

Conditions	Yield
With sodium perchlorate In water cation exchange;

: 13472-00-9
p-Aminophenethylamine

: 62669-70-9
rhodamin 123

: 2-(6-amino-3-imino-3H-xanthen-9-yl)-N-[2-(4-amino-phenyl)-ethyl]-benzamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 12h; amidation;

: 13325-10-5
4-Aminobutanol

: 62669-70-9
rhodamin 123

: 2-(6-amino-3-imino-3H-xanthen-9-yl)-N-(4-hydroxy-butyl)-benzamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 12h; amidation;

: 62669-70-9
rhodamin 123

: 17-(2-amino-ethylamino)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol

: 2-(6-amino-3-imino-3H-xanthen-9-yl)-N-[2-(3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ylamino)-ethyl]-benzamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 96h; amidation;

: 62669-70-9
rhodamin 123

: 2-{6-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-[(Z)-9H-fluoren-9-ylmethoxycarbonylimino]-2-iodo-3H-xanthen-9-yl}-benzoic acid methyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 34 percent / ICl / tetrahydrofuran / 5 h / Ambient temperature 2: 70 percent / diisopropylethylamine / CH2Cl2 / 4 h View Scheme

: 62669-70-9
rhodamin 123

: 2-[6-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-imino-2-iodo-3H-xanthen-9-yl]-benzoic acid methyl ester; hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 34 percent / ICl / tetrahydrofuran / 5 h / Ambient temperature 2: diisopropylethylamine / CH2Cl2 / 4 h View Scheme

: 62669-70-9
rhodamin 123

: 109282-63-5
4'-iododihydrorhodamine 123

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaBH4 / CH2Cl2; H2O / 1 h 2: 11 percent / NaI, N-chlorosuccinimide (NClS), 0.2 M NH4OAc / methanol; CH2Cl2; CCl4 / 1 h / 0 - 20 °C View Scheme
Multi-step reaction with 2 steps 1: NaBH4 / CH2Cl2; H2O / 1 h 2: 5 percent / NaI, N-chlorosuccinimide (NClS), 0.2 M NH4OAc / methanol; CH2Cl2; CCl4 / 1 h / Ambient temperature View Scheme

: 62669-70-9
rhodamin 123

: 109244-59-9
2'-iododihydrorhodamine 123

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaBH4 / CH2Cl2; H2O / 1 h 2: 21 percent / NaI, N-chlorosuccinimide (NClS), 0.2 M NH4OAc / methanol; CH2Cl2; CCl4 / 1 h / 0 - 20 °C View Scheme
Multi-step reaction with 2 steps 1: NaBH4 / CH2Cl2; H2O / 1 h 2: 44 percent / NaI, N-chlorosuccinimide (NClS), 0.2 M NH4OAc / methanol; CH2Cl2; CCl4 / 1 h / Ambient temperature View Scheme

: 62669-70-9
rhodamin 123

: 109244-61-3
4',7'-diiododihydrorhodamine 123

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaBH4 / CH2Cl2; H2O / 1 h 2: 12 percent / NaI, N-chlorosuccinimide (NClS), 0.2 M NH4OAc / methanol; CH2Cl2; CCl4 / 1 h / 0 - 20 °C View Scheme
Multi-step reaction with 2 steps 1: NaBH4 / CH2Cl2; H2O / 1 h 2: 23 percent / NaI, N-chlorosuccinimide (NClS), 0.2 M NH4OAc / CH2Cl2; CCl4 / 1 h / Ambient temperature View Scheme

: 62669-70-9
rhodamin 123

: 109244-60-2
2',7'-diiododihydrorhodamine 123

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaBH4 / CH2Cl2; H2O / 1 h 2: 17 percent / NaI, N-chlorosuccinimide (NClS), 0.2 M NH4OAc / methanol; CH2Cl2; CCl4 / 1 h / 0 - 20 °C View Scheme
Multi-step reaction with 2 steps 1: NaBH4 / CH2Cl2; H2O / 1 h 2: 9 percent / NaI, N-chlorosuccinimide (NClS), 0.2 M NH4OAc / methanol; CH2Cl2; CCl4 / 1 h / Ambient temperature View Scheme
Multi-step reaction with 2 steps 1: NaBH4 / CH2Cl2; H2O / 1 h 2: 25 percent / NaI, N-chlorosuccinimide (NClS), 0.2 M NH4OAc / CH2Cl2; CCl4 / 1 h / Ambient temperature View Scheme

: 62669-70-9
rhodamin 123

: 109244-62-4
2',4',7'-triiododihydrorhodamine 123

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NaBH4 / CH2Cl2; H2O / 1 h 2: 7 percent / NaI, N-chlorosuccinimide (NClS), 0.2 M NH4OAc / CH2Cl2; CCl4 / 1 h / Ambient temperature View Scheme

: 62669-70-9
rhodamin 123

: 66-81-9
Cycloheximide

: C36H39N3O6

Conditions

Conditions	Yield
With sodium cyanoborohydride; acetic acid In methanol; water at 37℃; for 16h;

: 62669-70-9
rhodamin 123

: 7585-39-9
β‐cyclodextrin

: C42H70O35*C21H16N2O3*ClH

Conditions

Conditions	Yield
In water at 14.84℃; Thermodynamic data; Temperature;

: 51166-71-3
heptakis(2,6-di-O-methyl)cyclomaltoheptaose

: 62669-70-9
rhodamin 123

: C56H98O35*C21H16N2O3*ClH

Conditions

Conditions	Yield
In water at 14.84℃; Thermodynamic data; Temperature;

: 62669-70-9
rhodamin 123

: lithium bis((pentafluoroethyl)sulfonyl)amide

: C21H16N2O3*C4F10NO4S2(1-)*H(1+)

Conditions

Conditions	Yield
In dichloromethane; water at 20℃; for 48h;

: 143-66-8
sodium tetraphenyl borate

: 62669-70-9
rhodamin 123

: C21H16N2O3*C24H20B(1-)*H(1+)

Conditions

Conditions	Yield
In dichloromethane; water at 20℃; for 48h;

Rhodamine 123 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

Product Name

Rhodamine 123

Synthetic route

Rhodamine 123 Specification

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