Cas no 62316-29-4 (3-chloro-4-methoxy-5-methylbenzoic acid)

3-chloro-4-methoxy-5-methylbenzoic acid structure
62316-29-4 structure
Product Name:3-chloro-4-methoxy-5-methylbenzoic acid
CAS No:62316-29-4
MF:C9H9ClO3
MW:200.618962049484
MDL:MFCD22414697
CID:449530
PubChem ID:71387600
Update Time:2025-10-29

3-chloro-4-methoxy-5-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-chloro-4-methoxy-5-methyl-
    • 3-chloro-4-methoxy-5-methylbenzoic acid
    • 62316-29-4
    • SCHEMBL21880315
    • DTXSID20809714
    • E92224
    • EN300-250091
    • CS-0190170
    • Z1504689389
    • MDL: MFCD22414697
    • Inchi: 1S/C9H9ClO3/c1-5-3-6(9(11)12)4-7(10)8(5)13-2/h3-4H,1-2H3,(H,11,12)
    • InChI Key: KJSJNKWUQVKXKC-UHFFFAOYSA-N
    • SMILES: ClC1=CC(C(=O)O)=CC(C)=C1OC

Computed Properties

  • Exact Mass: 200.02407
  • Monoisotopic Mass: 200.0240218g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 195
  • 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: 46.5?2

Experimental Properties

  • PSA: 46.53

3-chloro-4-methoxy-5-methylbenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-250091-1g
3-chloro-4-methoxy-5-methylbenzoic acid
62316-29-4 95%
1g
$871.0 2023-09-15
Enamine
EN300-250091-5g
3-chloro-4-methoxy-5-methylbenzoic acid
62316-29-4 95%
5g
$2525.0 2023-09-15
Enamine
EN300-250091-10g
3-chloro-4-methoxy-5-methylbenzoic acid
62316-29-4 95%
10g
$3746.0 2023-09-15
AstaTech
E92224-0.1/G
3-CHLORO-4-METHOXY-5-METHYLBENZOIC ACID
62316-29-4 95%
0.1g
$158 2023-09-18
AstaTech
E92224-0.25/G
3-CHLORO-4-METHOXY-5-METHYLBENZOIC ACID
62316-29-4 95%
0.25g
$316 2023-09-18
AstaTech
E92224-1/G
3-CHLORO-4-METHOXY-5-METHYLBENZOIC ACID
62316-29-4 95%
1g
$631 2023-09-18
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1260840-500mg
3-Chloro-4-methoxy-5-methylbenzoic acid
62316-29-4 98%
500mg
¥2444.00 2024-05-06
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1260840-1g
3-Chloro-4-methoxy-5-methylbenzoic acid
62316-29-4 98%
1g
¥3419.00 2024-05-06
Enamine
EN300-250091-0.05g
3-chloro-4-methoxy-5-methylbenzoic acid
62316-29-4 95%
0.05g
$202.0 2024-06-19
Enamine
EN300-250091-0.1g
3-chloro-4-methoxy-5-methylbenzoic acid
62316-29-4 95%
0.1g
$301.0 2024-06-19

Additional information on 3-chloro-4-methoxy-5-methylbenzoic acid

3-Chloro-4-methoxy-5-methylbenzoic Acid (CAS No. 62316-29-4): Properties, Applications, and Market Insights

3-Chloro-4-methoxy-5-methylbenzoic acid (CAS No. 62316-29-4) is a specialized organic compound with a unique molecular structure that combines chloro, methoxy, and methyl functional groups. This benzoic acid derivative has garnered significant attention in pharmaceutical and agrochemical research due to its versatile chemical properties. The compound's systematic name reflects its precise substitution pattern on the benzene ring, making it a valuable intermediate in synthetic chemistry.

The molecular formula of 3-chloro-4-methoxy-5-methylbenzoic acid is C9H9ClO3, with a molecular weight of 200.62 g/mol. Its chemical structure features a carboxylic acid group at position 1, with chlorine, methoxy, and methyl groups at positions 3, 4, and 5 respectively. This specific arrangement contributes to its moderate polarity and influences its solubility characteristics - being soluble in most organic solvents while having limited solubility in water. The compound typically appears as a white to off-white crystalline powder at room temperature.

In pharmaceutical applications, 3-chloro-4-methoxy-5-methylbenzoic acid serves as a crucial building block for the synthesis of various drug candidates. Researchers particularly value its potential in developing anti-inflammatory compounds and enzyme inhibitors. The presence of both electron-donating (methoxy) and electron-withdrawing (chloro) groups creates interesting electronic effects that can be exploited in drug design. Recent studies have explored its derivatives for potential antimicrobial properties, aligning with the growing global demand for novel antimicrobial agents in the face of increasing antibiotic resistance.

The agrochemical industry utilizes 3-chloro-4-methoxy-5-methylbenzoic acid CAS 62316-29-4 as an intermediate in the production of certain herbicides and plant growth regulators. Its structural features allow for modifications that can enhance herbicidal activity while maintaining environmental compatibility. With sustainable agriculture becoming a key focus worldwide, researchers are investigating how derivatives of this compound might contribute to eco-friendly crop protection solutions that address current challenges in food security.

From a synthetic chemistry perspective, 3-chloro-4-methoxy-5-methyl benzoic acid offers multiple reactive sites for further functionalization. The carboxylic acid group can undergo typical transformations such as esterification or amide formation, while the aromatic chlorine atom is amenable to nucleophilic substitution reactions. These characteristics make it a versatile starting material for creating diverse chemical libraries in medicinal chemistry and material science applications.

The global market for 3-chloro-4-methoxy-5-methylbenzoic acid has shown steady growth, driven by increasing R&D activities in pharmaceutical and agricultural sectors. Major chemical suppliers typically offer this compound with purity levels ranging from 95% to 99%, catering to both research and industrial-scale requirements. Pricing trends reflect its status as a specialty chemical, with costs influenced by raw material availability and production scale. The compound's supply chain remains robust, with manufacturers in North America, Europe, and Asia ensuring consistent availability.

Quality control for 3-chloro-4-methoxy-5-methylbenzoic acid (CAS 62316-29-4) involves rigorous analytical testing, including HPLC for purity assessment and NMR for structural confirmation. Storage recommendations typically suggest keeping the material in a cool, dry place away from strong oxidizing agents. Proper handling procedures emphasize the use of standard laboratory protective equipment, as with most organic chemicals of this nature.

Recent scientific literature highlights innovative applications of 3-chloro-4-methoxy-5-methylbenzoic acid derivatives in materials science, particularly in the development of functional polymers and liquid crystal materials. The compound's ability to introduce both polar and non-polar character into larger molecular systems makes it valuable for tuning material properties. This aligns with current industry trends toward smart materials and advanced functional coatings.

Environmental and regulatory aspects of 3-chloro-4-methoxy-5-methyl benzoic acid production and use continue to evolve. Manufacturers are implementing greener synthesis routes that reduce waste and energy consumption, responding to the chemical industry's broader sustainability initiatives. The compound's environmental fate and toxicity profile remain subjects of ongoing research, particularly regarding its potential biodegradation pathways.

For researchers working with 3-chloro-4-methoxy-5-methylbenzoic acid, recent methodological advances have improved its synthesis and purification. Modern catalytic methods and flow chemistry approaches are being explored to enhance the efficiency of its production. These developments contribute to the compound's growing accessibility for both academic and industrial research applications.

Future prospects for 3-chloro-4-methoxy-5-methylbenzoic acid (CAS No. 62316-29-4) appear promising, with potential expansions into new application areas such as organic electronics and catalysis. As synthetic methodologies advance and molecular design becomes more sophisticated, this versatile benzoic acid derivative is likely to find even broader utility across multiple scientific disciplines.

Recommended suppliers
NewCan Biotech Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
NewCan Biotech Limited
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司