4-Methylanilinium 5-bromo-1H-indol-3-yl hydrogen phosphate | CAS No. 80008-69-1

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

Basic Information

CAS Number

80008-69-1

Molecular Formula

C15H16BrN2O4P

Molecular Weight

399.18 g/mol

EINECS

1533716-785-6

AD

Basic Physical Properties

Cc1ccc(cc1)[NH3+].c1cc2c(cc1Br)c(c[nH]2)OP(=O)(O)[O-]

InChI

InChI=1S/C8H7BrNO4P.C7H9N/c9-5-1-2-7-6(3-5)8(4-10-7)14-15(11,12)13;1-6-2-4-7(8)5-3-6/h1-4,10H,(H2,11,12,13);2-5H,8H2,1H3

InChIKey

MTKYSMVJOACNBO-UHFFFAOYSA-N

LogP

4.56030

Synonyms & References

English

  • 5-BROMO-3-INDOXYL PHOSPHATE, P-TOLUIDINE SALT
  • 5-BROMO-3-INDOLYL PHOSPHATE P-TOLUIDINE SALT
  • 4-Methyl-benzenamine compd. with 5-bromo-1H-indol-3-yl dihydrogen phosphate
  • 5-Bromo-1H-indol-3-ol dihydrogen phosphate (ester) compd with 4-methylbenzenamine
  • Blue phosphate, p-toluidine salt
  • 5-bromo-1H-indol-3-yl dihydrogen phosphate
  • (5-bromo-1H-indol-3-yl) phosphate
  • 5-Bromo-3-Indoxyl Phosphate p-Toluidine Salt extrapure, 98%
  • 5-Bromo-3-indolyl- phosphate p-toluidine salt
  • (5-bromo-1H-indol-3-yl) phosphate,(4-methylphenyl)azanium
  • S07-0043
  • S07-043
  • W0421
  • 5-Bromo-3-indolyl phosphate p-toluidine salt

MDL Number

MFCD03427361

EC Number

1533716-785-6

Customs Code

2933998090

FAQ

What are the physical and chemical properties of 4-Methylanilinium 5-bromo-1H-indol-3-yl hydrogen phosphate (CAS: 80008-69-1)?

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.

How is 4-Methylanilinium 5-bromo-1H-indol-3-yl hydrogen phosphate (CAS: 80008-69-1) typically synthesized?

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.

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

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.

What precautions should be taken when handling 4-Methylanilinium 5-bromo-1H-indol-3-yl hydrogen phosphate (CAS: 80008-69-1)?

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.

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