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

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

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Basic Information

Molecular Formula
C21H17ClN2O3
Molecular Weight
380.82 g/mol

Physical Properties

Melting Point
235 ºC
Boiling Point
°Cat760mmHg
Density
1.2224 (rough estimate)
Flash Point
°C

Chemical Identifiers

SMILES
[Cl-].COC(=O)c1ccccc1c2c3ccc(N)cc3[o+]c4cc(N)ccc24
InChIKey
TUFFYSFVSYUHPA-UHFFFAOYSA-M

Database References

MDL Number
MFCD22423020

FAQ

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.
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.
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.
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.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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