Cas no 95068-02-3 (4-bromo-2-fluoro-1-(methoxymethyl)benzene)

4-Bromo-2-fluoro-1-(methoxymethyl)benzene is a halogenated aromatic compound featuring both bromo and fluoro substituents, along with a methoxymethyl functional group. This structure makes it a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The presence of bromine and fluorine enhances reactivity for cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, while the methoxymethyl group offers potential for further functionalization. Its well-defined reactivity profile and stability under standard conditions make it a valuable building block for constructing complex molecules. The compound is typically handled under inert conditions to preserve its integrity.
4-bromo-2-fluoro-1-(methoxymethyl)benzene structure
95068-02-3 structure
Product Name:4-bromo-2-fluoro-1-(methoxymethyl)benzene
CAS No:95068-02-3
MF:C8H8BrFO
MW:219.050925254822
MDL:MFCD14686971
CID:3168589
PubChem ID:21647637
Update Time:2025-05-19

4-bromo-2-fluoro-1-(methoxymethyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 4-bromo-2-fluoro-1-(methoxymethyl)benzene
    • E90951
    • BXSWVRGOODJFHS-UHFFFAOYSA-N
    • AKOS010793530
    • CS-0192901
    • EN300-82531
    • SCHEMBL13389112
    • Z823854350
    • VDA06802
    • SCHEMBL582358
    • MFCD14686971
    • DTXSID301271423
    • 95068-02-3
    • MDL: MFCD14686971
    • Inchi: 1S/C8H8BrFO/c1-11-5-6-2-3-7(9)4-8(6)10/h2-4H,5H2,1H3
    • InChI Key: BXSWVRGOODJFHS-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C=1)F)COC

Computed Properties

  • Exact Mass: 217.97426Da
  • Monoisotopic Mass: 217.97426Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 121
  • 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: 2.4
  • Topological Polar Surface Area: 9.2?2

4-bromo-2-fluoro-1-(methoxymethyl)benzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B993890-10mg
4-bromo-2-fluoro-1-(methoxymethyl)benzene
95068-02-3
10mg
$ 50.00 2022-06-06
TRC
B993890-50mg
4-bromo-2-fluoro-1-(methoxymethyl)benzene
95068-02-3
50mg
$ 185.00 2022-06-06
TRC
B993890-100mg
4-bromo-2-fluoro-1-(methoxymethyl)benzene
95068-02-3
100mg
$ 275.00 2022-06-06
Enamine
EN300-82531-0.05g
4-bromo-2-fluoro-1-(methoxymethyl)benzene
95068-02-3 95.0%
0.05g
$52.0 2025-02-21
Enamine
EN300-82531-0.1g
4-bromo-2-fluoro-1-(methoxymethyl)benzene
95068-02-3 95.0%
0.1g
$79.0 2025-02-21
Enamine
EN300-82531-0.25g
4-bromo-2-fluoro-1-(methoxymethyl)benzene
95068-02-3 95.0%
0.25g
$111.0 2025-02-21
Enamine
EN300-82531-0.5g
4-bromo-2-fluoro-1-(methoxymethyl)benzene
95068-02-3 95.0%
0.5g
$176.0 2025-02-21
Enamine
EN300-82531-1.0g
4-bromo-2-fluoro-1-(methoxymethyl)benzene
95068-02-3 95.0%
1.0g
$226.0 2025-02-21
Enamine
EN300-82531-2.5g
4-bromo-2-fluoro-1-(methoxymethyl)benzene
95068-02-3 95.0%
2.5g
$444.0 2025-02-21
Enamine
EN300-82531-5.0g
4-bromo-2-fluoro-1-(methoxymethyl)benzene
95068-02-3 95.0%
5.0g
$808.0 2025-02-21

Additional information on 4-bromo-2-fluoro-1-(methoxymethyl)benzene

4-Bromo-2-Fluoro-1-(Methoxymethyl)Benzene: A Comprehensive Overview

4-Bromo-2-fluoro-1-(methoxymethyl)benzene (CAS No. 95068-02-3) is a highly specialized aromatic compound that has garnered significant attention in the fields of organic chemistry, pharmacology, and materials science. This compound, characterized by its unique substitution pattern on the benzene ring, exhibits a range of interesting chemical properties and potential applications. In this article, we delve into the structural features, synthesis methods, and recent advancements in the utilization of 4-bromo-2-fluoro-1-(methoxymethyl)benzene.

The molecular structure of 4-bromo-2-fluoro-1-(methoxymethyl)benzene consists of a benzene ring with three substituents: a bromine atom at position 4, a fluorine atom at position 2, and a methoxymethyl group (-CH?-OCH?) at position 1. This substitution pattern imparts distinct electronic and steric effects on the molecule, making it a valuable substrate for various chemical transformations. The presence of both bromine and fluorine atoms introduces halogenation effects that can influence reactivity in synthetic reactions.

Recent studies have highlighted the importance of 4-bromo-2-fluoro-1-(methoxymethyl)benzene in the development of novel pharmaceutical agents. Researchers have explored its role as an intermediate in the synthesis of bioactive compounds, particularly those targeting specific receptor systems. For instance, the methoxymethyl group has been shown to enhance solubility and bioavailability when incorporated into drug candidates.

In terms of synthesis, 4-bromo-2-fluoro-1-(methoxymethyl)benzene can be prepared through a variety of routes. One common method involves the Friedel-Crafts alkylation reaction, where a methoxymethylating agent is introduced onto an appropriately substituted bromofluorobenzene derivative. This approach has been optimized to achieve high yields and selectivity under mild reaction conditions.

The application of 4-bromo-2-fluoro-1-(methoxymethyl)benzene extends beyond pharmaceuticals. It has also found utility in materials science as a precursor for advanced polymers and coatings. The bromine and fluorine substituents contribute to enhanced thermal stability and chemical resistance, making this compound suitable for high-performance materials.

From an environmental perspective, understanding the fate and behavior of 4-bromo-2-fluoro-1-(methoxymethyl)benzene in various ecosystems is crucial. Recent research has focused on its degradation pathways under different environmental conditions, with findings suggesting that microbial activity plays a significant role in its biodegradation.

In conclusion, 4-bromo-2-fluoro-1-(methoxymethyl)benzene (CAS No. 95068-02-3) stands as a versatile compound with diverse applications across multiple disciplines. Its unique chemical properties and potential for further functionalization make it an area of ongoing research interest. As new insights emerge from cutting-edge studies, this compound is poised to contribute even more significantly to advancements in science and technology.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zhangzhou Sinobioway Peptide Co.,Ltd.
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.