Cas no 7499-06-1 (5-Chloro-2-methylbenzoic acid)
5-Chloro-2-methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 5-Chloro-2-methylbenzoic acid
- 2-Methyl -5-Chlorobenzoic acid
- 3-CHLORO-6-METHYLBENZOIC ACID
- 5-CHLORO-O-TOLUIC ACID
- RARECHEM AL BO 0471
- 5-Chloro-2-methylbenzoic
- 5-Chlor-2-methyl-benzoesaeure
- 5-chloro-2-methyl-benzoic acid
- 5-Chlor-o-toluylsaeure
- 2-methyl-5-chlorobenzoic acid
- Benzoic acid, 5-chloro-2-methyl-
- 5-chloro-2-methyl benzoic acid
- 5-Chloro-2-methylbenzoicacid
- o-Toluic acid, 5-chloro-
- NSC407520
- PubChem4578
- KSC173Q5R
- Jsp000049
- 5-Chloro-2-methylbenzoic acid,
- 5-chloro-2 -methylbenzoic acid
- CSAPESWNZ
- 5-chloranyl-2-methyl-benzoic acid
- EBD51657
-
- MDL: MFCD00045842
- Inchi: 1S/C8H7ClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
- InChI Key: CSAPESWNZDOAFU-UHFFFAOYSA-N
- SMILES: ClC1C=CC(C)=C(C(=O)O)C=1
Computed Properties
- Exact Mass: 170.01300
- Monoisotopic Mass: 170.013
- 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
Experimental Properties
- Color/Form: White or light yellow powder
- Density: 1.31
- Melting Point: 171.0 to 175.0 deg-C
- Boiling Point: 293.5 °C at 760 mmHg
- Flash Point: 131.3℃
- Refractive Index: 1.573
- PSA: 37.30000
- LogP: 2.34660
5-Chloro-2-methylbenzoic acid Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Danger
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 22-37/38-41
- Safety Instruction: S26; S36/37/39
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Hazardous Material Identification:
- Risk Phrases:R36/37/38
- HazardClass:IRRITANT
- Storage Condition:Store at room temperature
5-Chloro-2-methylbenzoic acid Customs Data
- HS CODE:2916399090
- Customs Data:
China Customs Code:
2916399090Overview:
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%
5-Chloro-2-methylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 018395-1g |
5-Chloro-2-methylbenzoic acid |
7499-06-1 | 98% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 018395-5g |
5-Chloro-2-methylbenzoic acid |
7499-06-1 | 98% | 5g |
£11.00 | 2022-03-01 | |
| Fluorochem | 018395-10g |
5-Chloro-2-methylbenzoic acid |
7499-06-1 | 98% | 10g |
£18.00 | 2022-03-01 | |
| Fluorochem | 018395-25g |
5-Chloro-2-methylbenzoic acid |
7499-06-1 | 98% | 25g |
£31.00 | 2022-03-01 | |
| Fluorochem | 018395-100g |
5-Chloro-2-methylbenzoic acid |
7499-06-1 | 98% | 100g |
£93.00 | 2022-03-01 | |
| NAN JING HUA XUE SHI JI GU FEN Co., Ltd. | C1804619443-25g |
5-Chloro-2-methylbenzoic acid |
7499-06-1 | 98%(HPLC) | 25g |
¥ 194.1 | 2024-07-19 | |
| NAN JING HUA XUE SHI JI GU FEN Co., Ltd. | C1804619435-100g |
5-Chloro-2-methylbenzoic acid |
7499-06-1 | 98%(HPLC) | 100g |
¥ 535.3 | 2024-07-19 | |
| Apollo Scientific | OR6168-5g |
5-Chloro-2-methylbenzoic acid |
7499-06-1 | 98% | 5g |
£15.00 | 2025-02-20 | |
| Apollo Scientific | OR6168-25g |
5-Chloro-2-methylbenzoic acid |
7499-06-1 | 98% | 25g |
£20.00 | 2025-02-20 | |
| Apollo Scientific | OR6168-100g |
5-Chloro-2-methylbenzoic acid |
7499-06-1 | 98% | 100g |
£36.00 | 2025-02-20 |
5-Chloro-2-methylbenzoic acid Suppliers
5-Chloro-2-methylbenzoic acid Related Literature
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
Additional information on 5-Chloro-2-methylbenzoic acid
5-Chloro-2-methylbenzoic Acid (CAS No. 7499-06-1): Properties, Applications, and Market Insights
5-Chloro-2-methylbenzoic acid (CAS No. 7499-06-1) is a versatile organic compound widely used in pharmaceutical, agrochemical, and specialty chemical industries. This chlorinated benzoic acid derivative is characterized by its crystalline solid form, moderate solubility in organic solvents, and unique chemical reactivity that makes it valuable for various synthetic applications.
The compound's molecular structure features a carboxylic acid group at position 1, a chlorine substituent at position 5, and a methyl group at position 2 on the benzene ring. This specific arrangement contributes to its distinct physicochemical properties, including a melting point range of 135-138°C and a molecular weight of 170.59 g/mol. Researchers particularly value 5-chloro-2-methylbenzoic acid for its role as a building block in organic synthesis.
In pharmaceutical applications, 7499-06-1 serves as a key intermediate for developing non-steroidal anti-inflammatory drugs (NSAIDs) and other therapeutic agents. Recent studies highlight its potential in creating novel drug candidates targeting inflammatory pathways, aligning with current research trends in precision medicine and personalized therapeutics. The compound's structural features allow for efficient derivatization, making it valuable for medicinal chemistry explorations.
The agrochemical industry utilizes 5-chloro-2-methylbenzoic acid in developing crop protection agents and herbicide intermediates. With growing global emphasis on sustainable agriculture and reduced environmental impact, researchers are investigating its derivatives for biodegradable pesticide formulations. This aligns with current market demands for eco-friendly agrochemicals that maintain efficacy while minimizing ecological footprint.
From a synthetic chemistry perspective, CAS 7499-06-1 demonstrates interesting reactivity patterns. The electron-withdrawing chlorine and electron-donating methyl group create a unique electronic environment that influences its substitution reactions and coupling potential. These characteristics make it valuable for heterocyclic compound synthesis and material science applications, particularly in developing specialty polymers with tailored properties.
The global market for 5-chloro-2-methylbenzoic acid has shown steady growth, driven by increasing demand from pharmaceutical manufacturers and agrochemical producers. Market analysts note particular expansion in Asia-Pacific regions, where growing chemical and pharmaceutical sectors are creating new opportunities. Current price trends for 7499-06-1 reflect typical fluctuations in specialty chemical markets, with quality and purity specifications being key determinants of commercial value.
Quality control for 5-chloro-2-methylbenzoic acid typically involves HPLC analysis, melting point determination, and spectroscopic characterization. Reputable suppliers provide comprehensive analytical certificates detailing purity (often ≥98%) and impurity profiles. These quality assurances are particularly important for GMP-compliant applications in pharmaceutical manufacturing.
Recent technological advancements have improved synthetic routes to 5-chloro-2-methylbenzoic acid, with focus on green chemistry principles such as reduced solvent use and improved atom economy. These developments address growing industry concerns about process sustainability and environmental impact, making the compound more attractive for responsible manufacturing initiatives.
Storage and handling recommendations for CAS 7499-06-1 emphasize protection from moisture and direct sunlight, with optimal conditions being cool, dry environments in tightly sealed containers. While not classified as hazardous under normal handling conditions, standard laboratory safety practices should be observed when working with this chemical.
Future research directions for 5-chloro-2-methylbenzoic acid include exploration of its catalytic applications and potential in metal-organic frameworks (MOFs). The compound's structural features make it interesting for developing functional materials with applications in gas storage, separation technologies, and heterogeneous catalysis - all active areas of materials science research.
For researchers and industry professionals seeking high-purity 7499-06-1, it's essential to source from reputable chemical suppliers who can provide detailed technical specifications and regulatory documentation. The compound is generally available in kilogram quantities for laboratory use and bulk quantities for industrial applications, with pricing varying based on purity and order volume.
In conclusion, 5-chloro-2-methylbenzoic acid (CAS No. 7499-06-1) remains an important chemical intermediate with diverse applications across multiple industries. Its unique structural features and synthetic versatility continue to make it valuable for drug discovery, agrochemical development, and advanced material synthesis. As chemical research progresses toward more sustainable practices and targeted applications, this compound is likely to maintain its relevance in specialized chemical markets.
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