Cas no 1708958-91-1 (4-Bromo-5-Methyl-2-nitrobenzoic acid)

4-Bromo-5-Methyl-2-nitrobenzoic acid is a brominated and nitrated benzoic acid derivative, characterized by its distinct substitution pattern. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of bromine and nitro groups at the 4- and 2-positions, respectively, enhances its reactivity in electrophilic and nucleophilic substitution reactions, making it valuable for further functionalization. The methyl group at the 5-position contributes to steric and electronic modulation, influencing regioselectivity in downstream reactions. Its well-defined structure and high purity ensure consistent performance in synthetic applications, supporting precise molecular design.
4-Bromo-5-Methyl-2-nitrobenzoic acid structure
1708958-91-1 structure
Product Name:4-Bromo-5-Methyl-2-nitrobenzoic acid
CAS No:1708958-91-1
MF:C8H6BrNO4
MW:260.041541576386
CID:4612290
Update Time:2025-08-04

4-Bromo-5-Methyl-2-nitrobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-5-Methyl-2-nitrobenzoic acid
    • Inchi: 1S/C8H6BrNO4/c1-4-2-5(8(11)12)7(10(13)14)3-6(4)9/h2-3H,1H3,(H,11,12)
    • InChI Key: WKLFXBXUSBBVQO-UHFFFAOYSA-N
    • SMILES: BrC1=CC(=C(C(=O)O)C=C1C)[N+](=O)[O-]

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 252
  • XLogP3: 2.3
  • Topological Polar Surface Area: 83.1

4-Bromo-5-Methyl-2-nitrobenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A013016288-250mg
4-Bromo-5-methyl-2-nitrobenzoic acid
1708958-91-1 97%
250mg
470.40 USD 2021-06-25
Alichem
A013016288-500mg
4-Bromo-5-methyl-2-nitrobenzoic acid
1708958-91-1 97%
500mg
847.60 USD 2021-06-25
Alichem
A013016288-1g
4-Bromo-5-methyl-2-nitrobenzoic acid
1708958-91-1 97%
1g
1,564.50 USD 2021-06-25
A2B Chem LLC
AI38968-1g
4-Bromo-5-methyl-2-nitrobenzoic acid
1708958-91-1 98%
1g
$165.00 2024-04-20
A2B Chem LLC
AI38968-5g
4-Bromo-5-methyl-2-nitrobenzoic acid
1708958-91-1 98%
5g
$505.00 2024-04-20
A2B Chem LLC
AI38968-10g
4-Bromo-5-methyl-2-nitrobenzoic acid
1708958-91-1 98%
10g
$874.00 2024-04-20
Crysdot LLC
CD12133591-1g
4-Bromo-5-Methyl-2-nitrobenzoic acid
1708958-91-1 95+%
1g
$267 2024-07-24
Crysdot LLC
CD12133591-5g
4-Bromo-5-Methyl-2-nitrobenzoic acid
1708958-91-1 95+%
5g
$713 2024-07-24
Crysdot LLC
CD12133591-10g
4-Bromo-5-Methyl-2-nitrobenzoic acid
1708958-91-1 95+%
10g
$1270 2024-07-24
1PlusChem
1P00HZYW-1g
4-Bromo-5-methyl-2-nitrobenzoic acid
1708958-91-1 98%
1g
$172.00 2025-02-28

Additional information on 4-Bromo-5-Methyl-2-nitrobenzoic acid

4-Bromo-5-Methyl-2-nitrobenzoic acid (CAS No. 1708958-91-1): A Comprehensive Overview

4-Bromo-5-Methyl-2-nitrobenzoic acid (CAS No. 1708958-91-1) is a versatile organic compound that has garnered significant attention in recent years due to its unique chemical properties and potential applications in various fields, including pharmaceuticals, materials science, and chemical synthesis. This compound is characterized by its bromine, methyl, and nitro functional groups, which confer it with a range of reactive and functional properties.

The molecular structure of 4-Bromo-5-Methyl-2-nitrobenzoic acid is particularly noteworthy. The presence of the bromine atom at the 4-position and the methyl group at the 5-position, along with the nitro group at the 2-position, provides a unique combination of electronic and steric effects. These features make it an attractive starting material for a variety of synthetic transformations and derivatizations.

In the realm of pharmaceutical research, 4-Bromo-5-Methyl-2-nitrobenzoic acid has shown promise as an intermediate in the synthesis of novel drugs. Recent studies have explored its potential as a precursor for the development of anti-inflammatory agents, anticancer drugs, and other therapeutic compounds. The nitro group can be reduced to an amino group, which can then be further modified to introduce various functional groups, enhancing the compound's biological activity and selectivity.

One notable application of 4-Bromo-5-Methyl-2-nitrobenzoic acid is in the field of materials science. Its unique electronic properties make it a valuable component in the synthesis of conductive polymers and other advanced materials. Research has demonstrated that derivatives of this compound can be used to create materials with enhanced electrical conductivity and stability, making them suitable for use in electronic devices and sensors.

The synthetic versatility of 4-Bromo-5-Methyl-2-nitrobenzoic acid is another key factor contributing to its importance in chemical research. Various synthetic routes have been developed to produce this compound efficiently and on a large scale. For instance, one common method involves the bromination of 5-methyl-2-nitrobenzoic acid followed by further functionalization steps. These synthetic strategies not only improve the yield and purity of the final product but also allow for the introduction of additional functional groups, expanding its potential applications.

In addition to its synthetic utility, 4-Bromo-5-Methyl-2-nitrobenzoic acid has been studied for its environmental impact. Research has shown that proper handling and disposal practices are essential to minimize any potential environmental risks associated with this compound. Efforts are ongoing to develop more sustainable synthetic methods that reduce waste and minimize environmental footprint.

The safety profile of 4-Bromo-5-Methyl-2-nitrobenzoic acid is also an important consideration. While it is generally considered safe when handled properly, appropriate personal protective equipment (PPE) should be used during laboratory work to ensure safety. Safety data sheets (SDS) provide detailed information on handling, storage, and disposal procedures to ensure compliance with regulatory standards.

In conclusion, 4-Bromo-5-Methyl-2-nitrobenzoic acid (CAS No. 1708958-91-1) is a multifaceted compound with a wide range of applications in pharmaceuticals, materials science, and chemical synthesis. Its unique molecular structure and versatile reactivity make it an invaluable tool for researchers seeking to develop new materials and therapeutic agents. Ongoing research continues to uncover new possibilities for this compound, solidifying its position as a key player in modern chemical research.

Recommended suppliers
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd