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Thiotepa

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Identification
Molecular formula
C6H12ClN3
CAS number
52-24-4
IUPAC name
1-(2-chloroethyl)-1-methyl-aziridin-1-ium
State
State

Thiotepa is commonly found in a solid state at room temperature. It is often utilized in pharmaceutical formulations as a powder.

Melting point (Celsius)
52.00
Melting point (Kelvin)
325.15
Boiling point (Celsius)
238.00
Boiling point (Kelvin)
511.15
General information
Molecular weight
189.65g/mol
Molar mass
189.6980g/mol
Density
1.1700g/cm3
Appearence

Thiotepa appears as a crystalline solid or powder. It is typically colorless to pale yellow in appearance.

Comment on solubility

Solubility of 1-(2-chloroethyl)-1-methyl-aziridin-1-ium (C6H12ClN3)

The solubility of 1-(2-chloroethyl)-1-methyl-aziridin-1-ium is influenced by several key factors:

  • Polarity: Due to the presence of the chlorine atom and the quaternary ammonium structure, this compound exhibits significant polarity, which is commonly associated with good solubility in polar solvents.
  • Interaction with Water: It is likely to have moderate solubility in water due to the ionic nature of the aziridinium component, which can interact favorably with water molecules.
  • Solvent Considerations: While water is a primary solvent, other factors may affect solubility in organic solvents; hence solubility can vary in:
    • Alcohols - may enhance solubility due to hydrogen bonding.
    • Aromatic hydrocarbons - less likely to dissolve due to a lack of polarity.
  • Temperature Effect: As with many compounds, increasing the temperature may enhance solubility.

In summary, the solubility of C6H12ClN3 is primarily dictated by its polarity and the nature of the solvent, which determines the extent to which this compound can dissolve. Understanding these aspects is crucial for applications in chemical synthesis and formulations.

Interesting facts

Interesting Facts about 1-(2-chloroethyl)-1-methyl-aziridin-1-ium

1-(2-chloroethyl)-1-methyl-aziridin-1-ium, often referred to in scientific literature as a member of the aziridine family, presents a unique set of properties and implications in the field of chemistry. Here are some key points to consider:

  • Chemical Structure: This compound features a three-membered ring structure characteristic of aziridines, which are notable for their strained ring system.
  • Reactivity: Aziridines are known for their high reactivity, primarily due to the angle strain in the ring. This reactivity allows them to undergo various chemical transformations, making them valuable as intermediates in synthetic chemistry.
  • Biological Activity: Some aziridines, including 1-(2-chloroethyl)-1-methyl-aziridin-1-ium, possess biological activity. They have been studied for their potential as anticancer agents, as the compound can interfere with DNA synthesis.
  • Applications: Beyond pharmaceuticals, this compound's reactivity has practical applications in the development of polymers and agrochemicals, emphasizing its versatility in both industrial and laboratory settings.
  • Safety Considerations: The presence of the chloroethyl group is critical; it not only enhances reactivity but also raises safety concerns, as compounds with halogen substituents can be hazardous and require careful handling.

As a student or researcher delving into the realm of organic compounds, exploring 1-(2-chloroethyl)-1-methyl-aziridin-1-ium can offer enlightening insights into the intricate balance between molecular structure, reactivity, and functional applications in various fields.

In summary, this compound invites us to appreciate the complexities of chemical interactions while also reminding us of the responsible stewardship needed in handling reactive chemicals. As we further our understanding of aziridines, we can unlock new pathways in both medicinal chemistry and industrial applications.

Synonyms
Chlorimine mustard
N-2-Chloroethyl-N-methylaziridinium
1-(2-Chloroethyl)-1-methylaziridinium
57-54-5
BRN 3535924
1-(2-chloroethyl)-1-methylaziridin-1-ium
1-Methyl-1-(beta-chloroethyl)ethylenimonium
N-(2-Chloroethyl)-N-methylaziridinium ion
DTXSID90205603
AZIRIDINIUM, 1-(2-CHLOROETHYL)-1-METHYL-
SCHEMBL9974633
DTXCID80128094
N-2-chloroethyl-N-methylaziridinium chloride