Cas no 58530-13-5 (3-Bromo-5-methylbenzoic acid)

3-Bromo-5-methylbenzoic acid (CAS: 4382-63-2) is a brominated aromatic carboxylic acid derivative with a molecular formula of C8H7BrO2. This compound features a benzoic acid core substituted with a bromine atom at the 3-position and a methyl group at the 5-position, offering distinct reactivity for further functionalization. Its high purity (>97%) and well-defined structure make it a valuable intermediate in pharmaceutical synthesis, agrochemical development, and material science applications. The bromine substituent enables selective cross-coupling reactions (e.g., Suzuki or Heck reactions), while the carboxylic acid group provides versatility for amidation or esterification. Its crystalline form ensures good stability under standard storage conditions, and the methyl group enhances lipophilicity for improved solubility in organic solvents. This compound is particularly useful in constructing complex molecules requiring precise regiochemical control.

3-Bromo-5-methylbenzoic acid structure

Product Name:3-Bromo-5-methylbenzoic acid

CAS No:58530-13-5

MF:C₈H₇BrO₂

MW:215.043981790543

MDL:MFCD02684926

CID:830309

PubChem ID:3433127

Update Time:2025-11-01

3-Bromo-5-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

- 3-Bromo-5-methylbenzoic acid
- 3-Bromo-5-methyl-benzoic acid
- 3-bromo-5-nitrobenzoic acid
- Benzoic acid, 3-bromo-5-methyl-
- 3-Bromo-5-methylbenzoicAcid
- 3-bromo-5-methyl-benzoic Acid
- 5-bromo-3-methylbenzoic acid
- 5-Brom-m-toluylsaeure;
- KSC497O7L
- 3-Brom-5-methyl-benzoesaeure;
- 5-bromo-3-methylbenzoic acid;
- 3-bromo-5-methyl-benzoic acid;
- NWOMVQDBDBUANF-UHFFFAOYSA-N
- BCP24558
- CL8076
- EBD540788
- RP26866
- TRA0081381
- MFCD02684926
- GS-4081
- DB-072492
- SY018398
- SCHEMBL696914
- CS-W014908
- DTXSID00392432
- J-512036
- EN300-86067
- Z1205656813
- AKOS015919994
- 58530-13-5
- AB12648
- MDL： MFCD02684926
- Inchi： 1S/C8H7BrO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4H,1H3,(H,10,11)
- InChI Key： NWOMVQDBDBUANF-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=O)O)C=C(C)C=1

Computed Properties

Exact Mass: 213.96300
Monoisotopic Mass: 213.96294g/mol
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
Topological Polar Surface Area: 37.3
XLogP3: 2.5

Experimental Properties

Density: 1.599±0.06 g/cm3 (20 oC 760 Torr),
Melting Point: 178-179.5 oC
Boiling Point: 320.3℃ at 760 mmHg
Flash Point: 147.5℃
Refractive Index: 1.59
Solubility: Very slightly soluble (0.45 g/l) (25 o C),
PSA: 37.30000
LogP: 2.45570

3-Bromo-5-methylbenzoic acid Security Information

Signal Word：Danger
Hazard Statement： H301; H410
Warning Statement： P264; P270; P273; P301+P310; P321; P330; P391; P405; P501
HazardClass：6.1
PackingGroup：III
Storage Condition：Store at room temperature

3-Bromo-5-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-5-methylbenzoic acid Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.	05R0424-5g	3-Bromo-5-methyl-benzoic acid	58530-13-5	97%	5g	1679.12CNY	2021-05-07
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.	05R0424-25g	3-Bromo-5-methyl-benzoic acid	58530-13-5	97%	25g	5071.29CNY	2021-05-07
Fluorochem	038171-10g	3-Bromo-5-methylbenzoic acid	58530-13-5	98%	10g	￡50.00	2022-03-01
Fluorochem	038171-25g	3-Bromo-5-methylbenzoic acid	58530-13-5	98%	25g	￡110.00	2022-03-01
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	B123894-100mg	3-Bromo-5-methylbenzoic acid	58530-13-5	98%	100mg	￥29.90	2023-09-04
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	B123894-1g	3-Bromo-5-methylbenzoic acid	58530-13-5	98%	1g	￥38.90	2023-09-04
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.	B123894-5g	3-Bromo-5-methylbenzoic acid	58530-13-5	98%	5g	￥98.90	2023-09-04
Chemenu	CM158167-10g	3-Bromo-5-methylbenzoic acid	58530-13-5	95+%	10g	$167	2021-06-17
Chemenu	CM158167-25g	3-Bromo-5-methylbenzoic acid	58530-13-5	95+%	25g	$294	2021-06-17
SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.	R001711-100mg	3-Bromo-5-methylbenzoic acid	58530-13-5	98%	100mg	￥64	2024-05-22

3-Bromo-5-methylbenzoic acid Production Method

3-Bromo-5-methylbenzoic acid Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd

Gold Member

Audited Supplier

(CAS:58530-13-5)3-溴-5-甲基苯甲酸

Order Number:LE27056334

Stock Status:in Stock

Quantity:25KG,200KG,1000KG

Purity:99%

Pricing Information Last Updated:Friday, 20 June 2025 13:03

Price ($):discuss personally

Email:[email protected]

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Additional information on 3-Bromo-5-methylbenzoic acid

Comprehensive Overview of 3-Bromo-5-methylbenzoic acid (CAS No. 58530-13-5): Properties, Applications, and Market Trends

3-Bromo-5-methylbenzoic acid (CAS No. 58530-13-5) is a halogenated aromatic carboxylic acid with significant relevance in organic synthesis and pharmaceutical intermediates. This compound, characterized by its bromo and methyl substituents on the benzene ring, serves as a versatile building block in the development of agrochemicals, dyes, and specialty chemicals. Its molecular formula, C₈H₇BrO₂, and precise structural features make it a subject of interest for researchers exploring cross-coupling reactions and directed ortho-metalation strategies.

In recent years, the demand for 3-Bromo-5-methylbenzoic acid has surged due to its role in synthesizing biologically active compounds. With the growing focus on sustainable chemistry and green synthesis, researchers are investigating eco-friendly catalytic methods to optimize its production. Searches for "CAS 58530-13-5 supplier" or "3-Bromo-5-methylbenzoic acid price" reflect its commercial importance, while queries like "how to purify 3-Bromo-5-methylbenzoic acid" highlight practical challenges in laboratory settings.

The compound’s physicochemical properties include a melting point range of 160–165°C and moderate solubility in polar organic solvents like ethanol and dimethyl sulfoxide (DMSO). These traits make it suitable for ligand design in coordination chemistry or as a precursor for metal-organic frameworks (MOFs), a trending topic in materials science. Analytical techniques such as HPLC and NMR spectroscopy are commonly employed to verify its purity, addressing frequent user questions like "3-Bromo-5-methylbenzoic acid NMR peaks."

From an industrial perspective, 58530-13-5 aligns with the shift toward high-value fine chemicals. Its derivatives are explored in pharmaceutical scaffolds, particularly for antimicrobial and anti-inflammatory agents, resonating with the global emphasis on drug discovery. Notably, patents involving "brominated benzoic acid derivatives" have increased, underscoring its IP potential. Discussions on platforms like ResearchGate often center on "alternative routes to synthesize 3-Bromo-5-methylbenzoic acid," reflecting innovation-driven inquiries.

Regulatory and safety profiles of 3-Bromo-5-methylbenzoic acid adhere to standard laboratory handling protocols, with no significant environmental hazards reported. This positions it favorably compared to more restricted halogenated compounds. SEO-optimized terms such as "buy 3-Bromo-5-methylbenzoic acid online" or "CAS 58530-13-5 MSDS" cater to procurement and safety documentation needs, frequently searched by procurement specialists and chemists alike.

In conclusion, 3-Bromo-5-methylbenzoic acid (CAS No. 58530-13-5) exemplifies the intersection of academic research and industrial application. Its adaptability in organometallic chemistry and alignment with green chemistry principles ensure sustained relevance. As synthetic methodologies evolve, this compound will likely remain a cornerstone in developing advanced functional materials and therapeutic agents.

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