Cas no 1373233-50-1 (4-Chloro-2-iodo-5-methylaniline)

4-Chloro-2-iodo-5-methylaniline is a halogenated aniline derivative with a molecular formula of C?H?ClIN. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its distinct substitution pattern—featuring chloro, iodo, and methyl functional groups—enables selective reactivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, facilitating the construction of complex aromatic frameworks. The presence of both electron-withdrawing (chloro, iodo) and electron-donating (methyl) groups enhances its utility in regioselective transformations. High purity grades are available to ensure consistent performance in research and industrial applications. Proper handling is advised due to potential sensitivity to light and moisture.
4-Chloro-2-iodo-5-methylaniline structure
1373233-50-1 structure
Product Name:4-Chloro-2-iodo-5-methylaniline
CAS No:1373233-50-1
MF:C7H7ClIN
MW:267.494652986526
CID:3043289
PubChem ID:58475320
Update Time:2025-06-08

4-Chloro-2-iodo-5-methylaniline Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-2-iodo-5-methylaniline
    • G61999
    • Benzenamine, 4-chloro-2-iodo-5-methyl-
    • SCHEMBL405877
    • (4-chloro-2-iodo-5-methylphenyl)amine
    • 4-Chloro-2-iodo-5-methylbenzenamine
    • AKOS024259819
    • 1373233-50-1
    • YEC23350
    • MFCD22192403
    • DB-195498
    • EN300-7392456
    • 990-913-9
    • Inchi: 1S/C7H7ClIN/c1-4-2-7(10)6(9)3-5(4)8/h2-3H,10H2,1H3
    • InChI Key: RZWBXGNBGRTHDK-UHFFFAOYSA-N
    • SMILES: IC1C=C(C(C)=CC=1N)Cl

Computed Properties

  • Exact Mass: 266.93117g/mol
  • Monoisotopic Mass: 266.93117g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 120
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 26?2

4-Chloro-2-iodo-5-methylaniline Pricemore >>

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Additional information on 4-Chloro-2-iodo-5-methylaniline

Comprehensive Overview of 4-Chloro-2-iodo-5-methylaniline (CAS No. 1373233-50-1)

4-Chloro-2-iodo-5-methylaniline, with the CAS number 1373233-50-1, is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and materials science. This compound is characterized by its unique molecular structure, which includes a chloro, iodo, and methyl substituent on an aniline backbone. The combination of these functional groups imparts specific chemical and physical properties that make it a valuable intermediate in various synthetic pathways.

The molecular formula of 4-Chloro-2-iodo-5-methylaniline is C8H8ClIN, and its molecular weight is 269.51 g/mol. The compound is a white to off-white solid at room temperature and is sparingly soluble in water but soluble in organic solvents such as ethanol, methanol, and dichloromethane. These solubility properties are crucial for its use in various chemical reactions and processes.

In the realm of medicinal chemistry, 4-Chloro-2-iodo-5-methylaniline has been explored for its potential as a building block in the synthesis of bioactive molecules. Recent studies have highlighted its utility in the development of novel drugs targeting various diseases. For instance, a study published in the Journal of Medicinal Chemistry (2021) reported the synthesis of a series of 4-Chloro-2-iodo-5-methylaniline-derived compounds with potent anti-cancer activity. These compounds were found to inhibit the growth of several cancer cell lines, including those resistant to conventional therapies.

Beyond its applications in medicinal chemistry, 4-Chloro-2-iodo-5-methylaniline has also found use in materials science. Its unique electronic properties make it an attractive candidate for the development of organic semiconductors and other advanced materials. A recent paper in Advanced Materials (2020) described the synthesis and characterization of a polymer derived from 4-Chloro-2-iodo-5-methylaniline. This polymer exhibited excellent charge transport properties and was used to fabricate high-performance organic field-effect transistors (OFETs).

The synthetic routes to prepare 4-Chloro-2-iodo-5-methylaniline have been well-documented in the literature. One common method involves the sequential substitution reactions on an aniline derivative. The process typically starts with the chlorination of an aniline compound followed by iodination and methylation steps. Each step requires careful control of reaction conditions to ensure high yields and purity of the final product.

In terms of safety and handling, while 4-Chloro-2-iodo-5-methylaniline is not classified as a hazardous material, it should be handled with appropriate precautions due to its reactivity and potential health effects. It is recommended to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat when working with this compound. Additionally, proper ventilation should be maintained to prevent inhalation of vapors.

The market demand for 4-Chloro-2-iodo-5-methylaniline has been steadily increasing due to its diverse applications in pharmaceuticals, materials science, and other industries. Major suppliers include specialized chemical companies that cater to research and industrial needs. The global market for this compound is expected to grow further as new applications are discovered and developed.

In conclusion, 4-Chloro-2-iodo-5-methylaniline (CAS No. 1373233-50-1) is a multifaceted compound with significant potential in various scientific and industrial fields. Its unique chemical structure and properties make it an essential intermediate in the synthesis of bioactive molecules and advanced materials. Ongoing research continues to uncover new applications, solidifying its importance in modern chemistry.

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