Cas no 7697-26-9 (3-Bromo-4-methylbenzoic acid)

3-Bromo-4-methylbenzoic acid is a halogenated aromatic carboxylic acid with the molecular formula C?H?BrO?. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The bromine substituent at the 3-position and the methyl group at the 4-position enhance its reactivity, making it valuable for further functionalization, such as cross-coupling reactions or nucleophilic substitutions. Its crystalline solid form ensures stability and ease of handling under standard conditions. The compound’s well-defined structure and purity make it suitable for precise synthetic routes, contributing to its utility in research and industrial processes.
3-Bromo-4-methylbenzoic acid structure
3-Bromo-4-methylbenzoic acid structure
Product Name:3-Bromo-4-methylbenzoic acid
CAS No:7697-26-9
MF:C8H7BrO2
MW:215.043981790543
MDL:MFCD00002488
CID:47678
PubChem ID:82130
Update Time:2025-05-20

3-Bromo-4-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-4-methylbenzoic acid
    • 3-Bromo-p-toluic acid
    • 4-Methyl -3-Bromobenzoic acid
    • 3-bromo-4-methyl-benzoic acid
    • 3-bromo-4-toluic acid
    • Benzoic acid,3-bromo-4-methyl
    • qvr ce d1
    • p-Toluicacid, 3-bromo- (6CI,8CI)
    • NSC 243715
    • 4-Methyl-3-bromobenzoic acid
    • R2RQS96EGB
    • CS-W007779
    • 7697-26-9
    • bromo-p-toluic acid
    • AKOS000319488
    • J-511939
    • B3049
    • AM20060119
    • EN300-92405
    • A840107
    • Benzoic acid, 3-bromo-4-methyl-
    • 3-Bromo-4-methylbenzoic acid, technical grade, 85%
    • A9753
    • NSC-243715
    • NSC243715
    • EINECS 231-712-1
    • UNII-R2RQS96EGB
    • P-TOLUIC ACID, 3-BROMO-
    • SCHEMBL154862
    • STR05274
    • 3-bromo4-methylbenzoic acid
    • NS00037867
    • CK2240
    • 3-Bromo-4-methylbenzoicacid
    • FT-0615248
    • bromo-para-toluic acid
    • MFCD00002488
    • DTXSID60227751
    • AC-7748
    • Z57204180
    • 3-bromanyl-4-methyl-benzoic acid
    • BCP24534
    • STK053805
    • ALBB-037247
    • DB-022353
    • DTXCID10150242
    • FB45071
    • MDL: MFCD00002488
    • Inchi: 1S/C8H7BrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
    • InChI Key: ZFJOMUKPDWNRFI-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C(=O)O)C=CC=1C
    • BRN: 1936510

Computed Properties

  • Exact Mass: 213.96300
  • Monoisotopic Mass: 213.963
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 158
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 2.5
  • Topological Polar Surface Area: 37.3A^2

Experimental Properties

  • Color/Form: Light orange powder
  • Density: 1.599
  • Melting Point: 207.0 to 213.0 deg-C
  • Boiling Point: 329.8 °C at 760 mmHg
  • Flash Point: 153.3 °C
  • Water Partition Coefficient: Soluble in methanol. Insoluble in water.
  • PSA: 37.30000
  • LogP: 2.45570

3-Bromo-4-methylbenzoic acid Security Information

3-Bromo-4-methylbenzoic acid Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

3-Bromo-4-methylbenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
075171-1g
3-Bromo-4-methylbenzoic acid
7697-26-9 98%
1g
£10.00 2022-03-01
Fluorochem
075171-10g
3-Bromo-4-methylbenzoic acid
7697-26-9 98%
10g
£10.00 2022-03-01
Fluorochem
075171-25g
3-Bromo-4-methylbenzoic acid
7697-26-9 98%
25g
£19.00 2022-03-01
Fluorochem
075171-100g
3-Bromo-4-methylbenzoic acid
7697-26-9 98%
100g
£63.00 2022-03-01
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
B136776-25g
3-Bromo-4-methylbenzoic acid
7697-26-9 ≥98.0%(GC)
25g
¥116.90 2023-09-04
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
B136776-5g
3-Bromo-4-methylbenzoic acid
7697-26-9 ≥98.0%(GC)
5g
¥29.90 2023-09-04
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
B136776-100g
3-Bromo-4-methylbenzoic acid
7697-26-9 ≥98.0%(GC)
100g
¥208.90 2023-09-04
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
R017050-100g
3-Bromo-4-methylbenzoic acid
7697-26-9 98%
100g
¥216 2024-05-21
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
R017050-25g
3-Bromo-4-methylbenzoic acid
7697-26-9 98%
25g
¥52 2024-05-21
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
R017050-5g
3-Bromo-4-methylbenzoic acid
7697-26-9 98%
5g
¥25 2024-05-21

3-Bromo-4-methylbenzoic acid Production Method

3-Bromo-4-methylbenzoic acid Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:7697-26-9)3-溴-4-甲基苯甲酸
Order Number:LE27056006
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 13:03
Price ($):discuss personally

Additional information on 3-Bromo-4-methylbenzoic acid

3-Bromo-4-Methylbenzoic Acid: A Comprehensive Overview

3-Bromo-4-methylbenzoic acid, also known by its CAS number 7697-26-9, is a versatile organic compound with significant applications in various fields of chemistry and material science. This compound, characterized by its bromine and methyl substituents on the benzoic acid backbone, has garnered attention due to its unique chemical properties and potential for functionalization in advanced materials and pharmaceuticals.

The structure of 3-bromo-4-methylbenzoic acid consists of a benzene ring with a bromine atom at the 3-position and a methyl group at the 4-position, along with a carboxylic acid group at the para position. This substitution pattern imparts distinct electronic and steric effects, making it an ideal candidate for further chemical modifications. Recent studies have explored the use of this compound as a building block in the synthesis of bioactive molecules, where its reactivity and selectivity play crucial roles.

In terms of physical properties, 3-bromo-4-methylbenzoic acid exhibits a melting point of approximately 150°C and is sparingly soluble in water but readily soluble in organic solvents such as dichloromethane and ethyl acetate. These properties make it suitable for various synthetic procedures, including nucleophilic aromatic substitution and coupling reactions. Researchers have utilized these characteristics to develop novel materials with tailored functionalities, such as fluorescent sensors and drug delivery systems.

The synthesis of 3-bromo-4-methylbenzoic acid typically involves electrosynthesis or substitution reactions starting from bromobenzene derivatives. Recent advancements in catalytic methods have improved the efficiency and scalability of these processes, enabling the production of high-purity samples required for demanding applications. For instance, a study published in the Journal of Organic Chemistry demonstrated a highly efficient route using palladium-catalyzed cross-coupling reactions to synthesize this compound with excellent yields.

3-Bromo-4-methylbenzoic acid has found applications in drug discovery, particularly in the development of anti-inflammatory and anticancer agents. Its ability to act as a chiral auxiliary or template in asymmetric synthesis has been explored extensively. A notable example is its use in the construction of enantiomerically enriched compounds, which are critical for modern pharmacology.

In addition to pharmaceutical applications, 3-bromo-4-methylbenzoic acid has been employed in materials science to create advanced polymers and hybrid materials. For instance, researchers have utilized this compound as a monomer in the synthesis of conducting polymers, where its electron-withdrawing groups enhance electrical conductivity. Recent studies have also highlighted its potential as a precursor for metal-organic frameworks (MOFs), which are promising candidates for gas storage and catalysis.

The versatility of 3-bromo-4-methylbenzoic acid extends to its role as an intermediate in organic synthesis. Its bromine atom serves as an excellent leaving group, enabling various substitution reactions that lead to structurally complex molecules. This property has been exploited in the development of novel agrochemicals and industrial catalysts.

In conclusion, 3-bromo-4-methylbenzoic acid, with its unique chemical structure and versatile reactivity, continues to be a valuable compound in both academic research and industrial applications. As new synthetic methods and functionalization strategies emerge, this compound is poised to play an even greater role in advancing materials science and pharmacology.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:7697-26-9)3-溴-4-甲基苯甲酸
LE27056006
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email