Cas no 1369842-02-3 (5-Chloro-2-fluoro isopropoxybenzene)

5-Chloro-2-fluoro isopropoxybenzene is a halogenated aromatic ether with a molecular formula of C9H10ClFO. This compound features a chloro-fluoro substitution pattern on the benzene ring, coupled with an isopropoxy functional group, which enhances its utility as an intermediate in organic synthesis. Its structural properties make it valuable for pharmaceutical and agrochemical applications, particularly in the development of active ingredients requiring selective halogenation. The isopropoxy group improves solubility in organic solvents, facilitating downstream reactions. The compound's stability under standard conditions ensures consistent performance in synthetic workflows. It is typically handled under controlled conditions due to its reactive functional groups.
5-Chloro-2-fluoro isopropoxybenzene structure
1369842-02-3 structure
Product Name:5-Chloro-2-fluoro isopropoxybenzene
CAS No:1369842-02-3
MF:C9H10ClFO
MW:188.626505374908
MDL:MFCD23114125
CID:4594247
Update Time:2025-11-02

5-Chloro-2-fluoro isopropoxybenzene Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-1-fluoro-2-propan-2-yloxybenzene
    • 4-Chloro-1-fluoro-2-isopropoxybenzene
    • Benzene, 4-chloro-1-fluoro-2-(1-methylethoxy)-
    • 5-Chloro-2-fluoro isopropoxybenzene
    • MDL: MFCD23114125
    • Inchi: 1S/C9H10ClFO/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6H,1-2H3
    • InChI Key: SSPBUPYHTVNSEI-UHFFFAOYSA-N
    • SMILES: C1(F)=CC=C(Cl)C=C1OC(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2

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Additional information on 5-Chloro-2-fluoro isopropoxybenzene

5-Chloro-2-fluoro isopropoxybenzene (CAS 1369842-02-3): A Comprehensive Technical Overview

5-Chloro-2-fluoro isopropoxybenzene (CAS 1369842-02-3) is a specialized halogenated aromatic ether compound that has gained significant attention in pharmaceutical and agrochemical research. This chloro-fluoro benzene derivative serves as a crucial building block in modern organic synthesis, particularly in the development of active pharmaceutical ingredients (APIs) and crop protection agents.

The molecular structure of 5-Chloro-2-fluoro isopropoxybenzene features a benzene ring substituted with chlorine at the 5-position, fluorine at the 2-position, and an isopropoxy group. This unique arrangement of substituents makes it particularly valuable for structure-activity relationship (SAR) studies in drug discovery. Recent trends in medicinal chemistry show growing interest in such halogenated aromatic intermediates, as they often exhibit improved metabolic stability and binding affinity in target molecules.

In pharmaceutical applications, CAS 1369842-02-3 has been investigated as a precursor for various therapeutic agents. Its structural features are particularly relevant to current research areas such as kinase inhibitors and GPCR modulators - two of the most searched categories in pharmaceutical databases. The presence of both chlorine and fluorine atoms allows for fine-tuning of electronic properties, while the isopropoxy group provides steric bulk that can influence molecular conformation.

The agrochemical industry has shown increasing demand for 5-Chloro-2-fluoro benzene derivatives as well. These compounds serve as intermediates in the synthesis of novel pesticides and herbicides with improved environmental profiles. With the global push toward greener agrochemicals (a trending search term in agricultural research), compounds like 5-Chloro-2-fluoro isopropoxybenzene enable the development of products with higher target specificity and lower ecological impact.

From a synthetic chemistry perspective, 1369842-02-3 offers several advantages. The electron-withdrawing nature of the halogen atoms activates the aromatic ring toward various nucleophilic substitutions, while the isopropoxy group can participate in ether cleavage reactions when needed. These properties make it a versatile intermediate for multi-step organic synthesis, a topic frequently searched by synthetic chemists.

The physicochemical properties of 5-Chloro-2-fluoro isopropoxybenzene contribute to its utility in research and development. It typically appears as a colorless to pale yellow liquid with moderate viscosity. Its solubility profile - soluble in most organic solvents but insoluble in water - makes it particularly suitable for reactions conducted in aprotic media. These characteristics are often queried in chemical databases by researchers planning synthetic routes.

Quality control standards for CAS 1369842-02-3 typically require high purity levels (≥98%), with strict limits on related substances. Advanced analytical techniques such as GC-MS, HPLC, and NMR are employed to verify the identity and purity of this compound. "How to analyze halogenated aromatics" is a common search query among quality control specialists working with such compounds.

In the context of green chemistry initiatives (another trending topic), researchers are exploring more sustainable methods for producing halogenated aromatic ethers like 5-Chloro-2-fluoro isopropoxybenzene. Recent publications have investigated catalytic approaches to reduce waste generation and energy consumption during synthesis. These developments align with the pharmaceutical industry's increasing focus on process chemistry optimization, a frequently searched term in chemical engineering circles.

The market for 5-Chloro-2-fluoro benzene derivatives has shown steady growth, driven by expanding R&D activities in both pharmaceutical and agrochemical sectors. Custom synthesis providers often list this compound in their catalogs, responding to the demand from medicinal chemistry teams working on next-generation therapeutics. "Where to buy specialized aromatic intermediates" is a common search phrase among procurement specialists in these industries.

Storage and handling recommendations for 5-Chloro-2-fluoro isopropoxybenzene typically suggest keeping the material in tightly sealed containers under inert atmosphere, protected from light and moisture. While not classified as highly hazardous, proper laboratory practices should always be followed when working with any chemical substance. Safety data sheets provide complete handling information, which is among the most downloaded documents for research chemicals.

Future research directions for compounds like CAS 1369842-02-3 may focus on developing more efficient synthetic routes and exploring new applications in materials science. With the growing interest in functionalized aromatics for electronic materials (a hot topic in materials science searches), derivatives of 5-Chloro-2-fluoro isopropoxybenzene could find applications beyond their current pharmaceutical and agrochemical uses.

In conclusion, 5-Chloro-2-fluoro isopropoxybenzene (CAS 1369842-02-3) represents an important building block in modern chemical research. Its unique combination of halogen substituents and ether functionality makes it valuable for diverse applications, particularly in drug discovery and crop protection product development. As research continues to advance in these fields, the demand for high-quality halogenated aromatic intermediates is expected to grow accordingly.

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