Cas no 1197181-29-5 (5-Chloro-7-nitro-1H-indole)

5-Chloro-7-nitro-1H-indole is a halogenated nitroindole derivative with significant utility in organic synthesis and pharmaceutical research. Its structure, featuring both chloro and nitro substituents on the indole core, enhances its reactivity, making it a valuable intermediate for constructing complex heterocyclic compounds. The electron-withdrawing nitro group facilitates electrophilic substitution reactions, while the chloro group offers versatility in cross-coupling transformations. This compound is particularly useful in medicinal chemistry for the development of bioactive molecules, including potential kinase inhibitors and antimicrobial agents. Its high purity and well-defined chemical properties ensure reproducibility in research applications. Proper handling is advised due to its sensitivity to light and moisture.
5-Chloro-7-nitro-1H-indole structure
5-Chloro-7-nitro-1H-indole structure
Product Name:5-Chloro-7-nitro-1H-indole
CAS No:1197181-29-5
MF:C8H5ClN2O2
MW:196.590500593185
MDL:MFCD20923231
CID:1101404
PubChem ID:91885111
Update Time:2025-10-29

5-Chloro-7-nitro-1H-indole Chemical and Physical Properties

Names and Identifiers

    • 5-chloro-7-nitro-1H-Indole
    • 5-Chloro-7-nitroindole
    • AK175242
    • 5-chloro-7-nitro-1H indole
    • 1H-Indole, 5-chloro-7-nitro-
    • FCH1606605
    • SB15301
    • AKOS025405114
    • CS-0042994
    • EN300-338276
    • MFCD20923231
    • DS-8981
    • SY099492
    • I11383
    • DA-37456
    • AMY7405
    • 1197181-29-5
    • A857886
    • XXB18129
    • 5-Chloro-7-nitro-1H-indole
    • MDL: MFCD20923231
    • Inchi: 1S/C8H5ClN2O2/c9-6-3-5-1-2-10-8(5)7(4-6)11(12)13/h1-4,10H
    • InChI Key: FNZMFDOFIZJRNY-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C2=C(C=1)C=CN2)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 196.0039551g/mol
  • Monoisotopic Mass: 196.0039551g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 219
  • 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: 3.3
  • Topological Polar Surface Area: 61.6

Experimental Properties

  • Density: 1.564±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.12 g/l) (25 o C),

5-Chloro-7-nitro-1H-indole Pricemore >>

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5-Chloro-7-nitro-1H-indole Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:1197181-29-5)5-Chloro-7-nitroindole
Order Number:sfd20759
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:38
Price ($):discuss personally

Additional information on 5-Chloro-7-nitro-1H-indole

5-Chloro-7-nitro-1H-indole (CAS No. 1197181-29-5): A Comprehensive Overview

5-Chloro-7-nitro-1H-indole (CAS No. 1197181-29-5) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry, biochemistry, and materials science. This compound is characterized by its unique structural features, including a chlorine atom at the 5-position and a nitro group at the 7-position of the indole ring. These functional groups endow the molecule with distinct chemical and biological properties, making it a valuable building block for various applications.

The indole scaffold is a fundamental structure in organic chemistry, known for its broad range of biological activities. The presence of the chloro and nitro substituents in 5-Chloro-7-nitro-1H-indole significantly alters its electronic and steric properties, which can influence its reactivity and biological interactions. Recent studies have highlighted the potential of this compound as a precursor for the synthesis of more complex molecules with therapeutic potential.

In the realm of medicinal chemistry, 5-Chloro-7-nitro-1H-indole has been explored for its potential as an intermediate in the development of novel drugs. The nitro group can be reduced to an amino group, which can then participate in various chemical reactions to form bioactive molecules. For instance, a study published in the *Journal of Medicinal Chemistry* demonstrated that derivatives of 5-Chloro-7-nitro-1H-indole exhibited potent anti-inflammatory and anti-cancer activities. These findings underscore the importance of this compound as a starting material for drug discovery efforts.

Beyond its medicinal applications, 5-Chloro-7-nitro-1H-indole has also found utility in materials science. The unique electronic properties of this compound make it suitable for use in organic electronics, such as organic light-emitting diodes (OLEDs) and organic photovoltaics (OPVs). Researchers at the University of California, Berkeley, have reported that 5-Chloro-7-nitro-1H-indole derivatives can serve as efficient electron transport materials, enhancing the performance of OLED devices. This versatility highlights the compound's potential in both biological and technological applications.

The synthesis of 5-Chloro-7-nitro-1H-indole typically involves multi-step processes that require careful control over reaction conditions to ensure high yields and purity. Common synthetic routes include nitration and chlorination reactions on pre-existing indole frameworks. Advances in green chemistry have led to the development of more environmentally friendly methods for synthesizing this compound, reducing waste and minimizing hazardous by-products.

In addition to its synthetic applications, 5-Chloro-7-nitro-1H-indole has been studied for its spectroscopic properties. Its unique electronic structure makes it an interesting subject for UV/Vis spectroscopy and fluorescence studies. These properties are crucial for understanding the behavior of the compound in different environments and for developing analytical methods to detect and quantify it in complex mixtures.

The safety profile of 5-Chloro-7-nitro-1H-indole is an important consideration for its use in various applications. While it is not classified as a hazardous material, proper handling and storage procedures should be followed to ensure workplace safety. Toxicological studies have shown that exposure to high concentrations of this compound can cause irritation to the eyes and skin, emphasizing the need for appropriate personal protective equipment (PPE) during handling.

In conclusion, 5-Chloro-7-nitro-1H-indole (CAS No. 1197181-29-5) is a multifaceted compound with significant potential in medicinal chemistry, materials science, and analytical chemistry. Its unique structural features make it a valuable starting material for synthesizing bioactive molecules and functional materials. Ongoing research continues to uncover new applications and properties of this compound, solidifying its importance in various scientific disciplines.

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Suzhou Senfeida Chemical Co., Ltd
(CAS:1197181-29-5)5-Chloro-7-nitroindole
sfd20759
Purity:99.9%
Quantity:200kg
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