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4-Methylanilinium 5-bromo-1H-indol-3-yl hydrogen phosphate(CAS: 80008-69-1)

4-Methylanilinium 5-bromo-1H-indol-3-yl hydrogen phosphate
CAS Number

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Basic Information

Molecular Formula
C15H16BrN2O4P
Molecular Weight
399.18 g/mol
EINECS
1533716-785-6

Chemical Identifiers

SMILES
Cc1ccc(cc1)[NH3+].c1cc2c(cc1Br)c(c[nH]2)OP(=O)(O)[O-]
InChIKey
MTKYSMVJOACNBO-UHFFFAOYSA-N

Database References

MDL Number
MFCD03427361

FAQ

4-Methylanilinium 5-bromo-1H-indol-3-yl hydrogen phosphate is a crystalline compound with a molecular weight of approximately 380.07 g/mol. It has a low solubility in water but is more soluble in organic solvents. This compound is moderately reactive and can undergo substitution reactions. It is stable under normal conditions but may react with strong bases and oxidizing agents.
4-Methylanilinium 5-bromo-1H-indol-3-yl hydrogen phosphate is typically synthesized through a multistep process involving the bromination of indole and subsequent coupling with 4-methylaniline. The reaction is catalyzed by a Lewis acid such as aluminum chloride, and the yield is around 70-80%. The product is isolated by recrystallization from an appropriate solvent.
4-Methylanilinium 5-bromo-1H-indol-3-yl hydrogen phosphate is used in the pharmaceutical industry for the development of new drugs, as a precursor in organic synthesis, and in the sensor industry for the fabrication of gas sensors. It is also utilized in the semiconductor industry for the manufacturing of advanced materials.
When handling 4-Methylanilinium 5-bromo-1H-indol-3-yl hydrogen phosphate, appropriate personal protective equipment (PPE) should be used, including gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to minimize exposure to bromine vapor. In case of a spill, it is recommended to use a spill kit and follow the safety data sheet (SDS) guidelines for proper cleanup. Storage should be in a cool, dry place, away from oxidizing agents and strong bases.

Safety Notice

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