Cas no 5162-82-3 (3-Chloro-4-methylbenzoic acid)
3-Chloro-4-methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Chloro-4-methylbenzoic acid
- 4-Methyl -3-Chlorobenzoic acid
- 3-chloro-p-toluicaci
- Benzoic acid, 3-chloro-4-methyl-
- 3-CHLORO-4-TOLUIC ACID
- 3-CHLORO-P-TOLUIC ACID
- RARECHEM AL BO 1236
- 3-Chloro-P-Toluic
- 3-Chlor-4-methyl-benzoesaeure
- 3-Chloro-4-methylben
- 3-chloro-4-methyl-benzoic acid
- 3-Chlor-p-toluylsaeure
- Benzoic acid,3-chloro-4-methyl
- p-Toluicacid, 3-chloro- (6CI,7CI,8CI)
- 3-Chloro-p-toluicacid
- AC-2945
- AM20060098
- CS-0032913
- FS-2541
- J-512244
- SCHEMBL697363
- 3-Chloro-4-methylbenzoic acid, AldrichCPR
- FT-0615417
- DTXSID60199565
- CK2203
- MFCD00045841
- Z1097117588
- BRN 1936498
- BCP24552
- SY003397
- DS-1289
- 3-chloro-4-methyl benzoic acid
- 5162-82-3
- C2462
- AKOS005258572
- 3-chloro,4-methylbenzoic acid
- EN300-68957
- p-Toluic acid, 3-chloro-
- 4-09-00-01743 (Beilstein Handbook Reference)
- 3-Chloro-4-methylbenzoicacid
- DTXCID20122056
- DB-031120
-
- MDL: MFCD00045841
- Inchi: 1S/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
- InChI Key: SDKUOEOJAXGCLU-UHFFFAOYSA-N
- SMILES: ClC1C=C(C(=O)O)C=CC=1C
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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: nothing
- Topological Polar Surface Area: 37.3A^2
Experimental Properties
- Color/Form: solid
- Density: 1.31
- Melting Point: 200.0 to 204.0 deg-C
- Boiling Point: 304.5℃ at 760 mmHg
- Flash Point: 138℃
- PSA: 37.30000
- LogP: 2.34660
- Solubility: Uncertain
3-Chloro-4-methylbenzoic acid Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Category Code: R36/37/38
- Safety Instruction: S26-S37/39
- RTECS:XU1650000
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Storage Condition:Store at room temperature
- Risk Phrases:R36/37/38
- Safety Term:S26;S37/39
3-Chloro-4-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%
3-Chloro-4-methylbenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C825528-100g |
3-chloro-4-methylbenzoic acid |
5162-82-3 | ≥95% | 100g |
688.00 | 2021-05-17 | |
| Matrix Scientific | 002579-5g |
3-Chloro-4-methylbenzoic acid, 98% |
5162-82-3 | 98% | 5g |
$14.00 | 2023-09-11 | |
| Matrix Scientific | 002579-25g |
3-Chloro-4-methylbenzoic acid, 98% |
5162-82-3 | 98% | 25g |
$43.00 | 2023-09-11 | |
| TRC | C587595-100mg |
3-Chloro-4-methylbenzoic acid |
5162-82-3 | 100mg |
$ 52.00 | 2023-09-08 | ||
| TRC | C587595-250mg |
3-Chloro-4-methylbenzoic acid |
5162-82-3 | 250mg |
$ 58.00 | 2023-09-08 | ||
| TRC | C587595-500mg |
3-Chloro-4-methylbenzoic acid |
5162-82-3 | 500mg |
$ 69.00 | 2023-09-08 | ||
| TRC | C587595-1g |
3-Chloro-4-methylbenzoic acid |
5162-82-3 | 1g |
$ 70.00 | 2022-06-06 | ||
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C153816-100g |
3-Chloro-4-methylbenzoic acid |
5162-82-3 | >98.0% | 100g |
¥545.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C153816-1g |
3-Chloro-4-methylbenzoic acid |
5162-82-3 | >98.0% | 1g |
¥29.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C153816-25G |
3-Chloro-4-methylbenzoic acid |
5162-82-3 | >98.0% | 25g |
¥149.90 | 2023-09-03 |
3-Chloro-4-methylbenzoic acid Suppliers
3-Chloro-4-methylbenzoic acid Related Literature
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Minsung Kim,Md Al Mamunur Rashid,Yun Jeong Choe,Sang Hoon Kim,Jung-Hyun Lee,Keunhong Jeong,Jongsik Kim J. Mater. Chem. A 2023 11 9436
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2. 183. Volume effects of alkyl groups in aromatic compounds. Part IV. The dinitration of 2-chlorocymeneSamarendra N. Ganguly,R. J. W. Le Fèvre J. Chem. Soc. 1934 852
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3. 53. Cinnolines. Part IX. The preparation of some 6 : 7- and 7 : 8-disubstituted-4-hydroxycinnolinesJ. R. Keneford,J. C. E. Simpson J. Chem. Soc. 1947 227
Additional information on 3-Chloro-4-methylbenzoic acid
Comprehensive Guide to 3-Chloro-4-methylbenzoic acid (CAS No. 5162-82-3): Properties, Applications, and Industry Insights
3-Chloro-4-methylbenzoic acid (CAS No. 5162-82-3) is a versatile organic compound widely used in pharmaceutical, agrochemical, and specialty chemical industries. This white to off-white crystalline powder belongs to the class of chlorinated benzoic acid derivatives, known for their unique reactivity and functional group compatibility. With a molecular formula of C8H7ClO2, this compound has gained significant attention in recent years due to its role as a key intermediate in synthesizing various active pharmaceutical ingredients (APIs) and crop protection agents.
The growing demand for 3-Chloro-4-methylbenzoic acid reflects broader trends in the fine chemicals market, where researchers increasingly seek halogenated aromatic building blocks with precise substitution patterns. Analytical techniques like HPLC purity testing and NMR characterization confirm its high chemical stability, with typical purity levels exceeding 98%. The compound's melting point range (160-163°C) and solubility profile (soluble in polar organic solvents but insoluble in water) make it particularly valuable for controlled reactions in organic synthesis.
Recent advancements in green chemistry methodologies have spurred interest in optimizing the production process for CAS 5162-82-3. Manufacturers now employ innovative catalytic chlorination techniques that reduce byproduct formation while maintaining cost efficiency—addressing two major concerns in modern chemical production: environmental impact and process economics. These developments align with the pharmaceutical industry's push toward sustainable synthetic routes, as evidenced by numerous patent applications citing this compound since 2020.
In pharmaceutical applications, 3-Chloro-4-methylbenzoic acid serves as a crucial precursor for non-steroidal anti-inflammatory drugs (NSAIDs) and certain central nervous system (CNS) therapeutics. Its molecular structure allows selective modifications at either the carboxyl group or aromatic ring, enabling medicinal chemists to create targeted analogs. The compound's meta-chloro substitution pattern is particularly valuable for modulating biological activity, a feature explored in recent structure-activity relationship (SAR) studies published in peer-reviewed journals.
The agrochemical sector utilizes 5162-82-3 in developing next-generation herbicides and fungicides, where its chlorine-methyl substitution pattern contributes to improved pesticide efficacy and environmental persistence characteristics. Regulatory agencies worldwide have approved several derivatives of this compound, reflecting its safety profile when properly formulated. Current research focuses on creating biodegradable variants that maintain performance while addressing ecological concerns—a response to consumer demand for sustainable crop solutions.
Quality control standards for 3-Chloro-4-methylbenzoic acid have evolved significantly, with leading suppliers now providing GMP-grade material for critical applications. Analytical certificates typically include specifications for heavy metal content, residual solvents, and isomeric purity—parameters increasingly important to end-users in regulated industries. The compound's storage stability under recommended conditions (ambient temperature, protected from moisture) ensures consistent performance in downstream processes.
Emerging applications in material science have expanded the market potential for CAS 5162-82-3. Researchers are investigating its use as a monomer for specialty polymers with tailored thermal and mechanical properties. The compound's ability to participate in polycondensation reactions while imparting halogen functionality makes it valuable for creating flame-retardant materials—an area of intense development given stricter safety regulations in electronics and construction sectors.
Global market analysis indicates steady growth for chloro-methyl benzoic acid derivatives, with Asia-Pacific regions showing particular demand increases. This trend correlates with the expansion of contract manufacturing organizations (CMOs) specializing in aromatic intermediates. Industry experts attribute this growth to the compound's balance of cost-effectiveness and synthetic versatility, making it preferable to more complex alternatives for many applications.
For researchers working with 3-Chloro-4-methylbenzoic acid, proper handling procedures and waste disposal protocols remain essential considerations. While not classified as hazardous under standard protocols, appropriate laboratory safety measures should always be followed when handling crystalline powders. Material safety data sheets (MSDS) provide detailed guidance on personal protective equipment (PPE) requirements and first aid measures, reflecting the industry's commitment to responsible chemical management.
The future outlook for 5162-82-3 appears promising, with ongoing research exploring novel applications in catalysis and supramolecular chemistry. Its structural features make it a candidate for developing metal-organic frameworks (MOFs) and other advanced materials. As synthetic methodologies continue evolving, this compound will likely maintain its status as a valuable building block in organic chemistry—bridging the gap between academic research and industrial-scale applications across multiple sectors.
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