3,6-Diamino-9-[2-(methoxycarbonyl)phenyl]xanthenium chloride

Basic Information

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CAS Number

62669-70-9

Molecular Formula

C21H17ClN2O3

Molecular Weight

380.82 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

235 ºC

Boiling Point

°Cat760mmHg

Density

1.2224 (rough estimate)

Solubility

ethanol: 20 mg/mL, clear, red

Refractive Index

1.6500 (estimate)

SMILES

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[Cl-].COC(=O)c1ccccc1c2c3ccc(N)cc3[o+]c4cc(N)ccc24

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

InChIKey

TUFFYSFVSYUHPA-UHFFFAOYSA-M

LogP

5.53580

Complexity

706

Synonyms & References

English

Rhodamine 123
2-[6-AMINO-3-IMINO-3H-XANTHEN-9-YL]BENZOIC ACID METHYL ESTER
Cellstain RH123
RHODAMINE 123 USED AS LASER DYE
Rhodamine-123
2-(6-amino-3-imino-3H-xanthen-9-yl)-methyl ester,hydrochloride
R-22420
rh123
RH-123
rhodamine 110 methyl ester
RHODAMINE 123 HYDROCHLORIDE
RHODAMINE 123,PURE
RHODAMINE METHYL ESTER CHLORIDE
2-(6-Amino-3-imino-3H-xanthen-9-yl)benzoic acid methyl ester
3,6-Diamino-9-[2-(methoxycarbonyl)phenyl]xanthylium chloride
05D072FS97
methyl 2-(3-amino-6-imino-xanthen-9-yl)benzoate
Xanthylium, 3,6-diamino-9-(2-(methoxycarbonyl)phenyl)-
Xanthylium, 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]-
Rhodamie methyl
Rhodamine 123 free base
PDSP2_000344
PDSP1_000346
BDBM50121978
methyl 2-(3-amino-6-iminoxanthen-9-yl)benzoate
methyl 2-[(3e)-6-amino-3-imino-3h-xanthen-9-yl]benzoate
2-(3-a

MDL Number

MFCD22423020

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 3,6-Diamino-9-[2-(methoxycarbonyl)phenyl]xanthenium chloride (CAS: 62669-70-9)?

The compound 3,6-Diamino-9-[2-(methoxycarbonyl)phenyl]xanthenium chloride (CAS: 62669-70-9) is a crystalline solid with a molecular weight of approximately 487.36 g/mol. It has a low solubility in water but is soluble in common organic solvents such as ethanol and acetone. The compound is moderately reactive, particularly with acidic and basic solutions. It exhibits fluorescence under UV light and is often used in analytical chemistry and as a dye.

How is 3,6-Diamino-9-[2-(methoxycarbonyl)phenyl]xanthenium chloride (CAS: 62669-70-9) typically synthesized?

3,6-Diamino-9-[2-(methoxycarbonyl)phenyl]xanthenium chloride (CAS: 62669-70-9) is typically synthesized via the coupling of 3,6-diaminobenzanthrone with 2-(methoxycarbonyl)benzaldehyde. The reaction involves protecting the amine groups, coupling them with the aldehyde, and then chlorinating the resulting product to form the xanthenium chloride. Common catalysts include palladium(II) acetate and triphenylphosphine. The yield is generally around 70%, and the reaction is performed under mild conditions to ensure selectivity.

What industries use 3,6-Diamino-9-[2-(methoxycarbonyl)phenyl]xanthenium chloride (CAS: 62669-70-9)?

3,6-Diamino-9-[2-(methoxycarbonyl)phenyl]xanthenium chloride (CAS: 62669-70-9) is primarily used in pharmaceuticals for its fluorescence properties, which are beneficial in drug discovery and development. It is also used in polymer science for its dyeing properties, in sensor technology for detection of specific analytes, and in semiconductor applications for its light-emitting characteristics. Its fluorescence makes it suitable for use in various analytical and diagnostic techniques.

What precautions should be taken when handling 3,6-Diamino-9-[2-(methoxycarbonyl)phenyl]xanthenium chloride (CAS: 62669-70-9)?

When handling 3,6-Diamino-9-[2-(methoxycarbonyl)phenyl]xanthenium chloride (CAS: 62669-70-9), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be used in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be handled with caution using absorbent materials, and the area should be thoroughly cleaned. Safety data sheets (SDS) should be consulted for detailed information on handling and storage. Due to its reactivity, it should be stored in a cool, dry place away from strong acids and bases.