Cas no 85888-81-9 (2-Chloromethylbenzoic Acid)
2-Chloromethylbenzoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(Chloromethyl)benzoic acid
- 2-Chlormethyl-benzoesaeure
- 2-chloromethyl-benzoic acid
- chloromethylbenzoic acid
- o-Chlormethyl-benzoesaeure
- o-chloromethyl benzoic acid
- RARECHEM AL BO 1528
- α-Chloro-o-toluic acid
- o-Toluicacid, a-chloro- (6CI)
- 2-Chloromethylbenzoic acid
- NSC 165904
- 2-(chloromethyl)benzoicacid
- NSC165904
- alpha-chloro-toluic acid
- (chloromethyl)benzoic acid
- alp.-Chloro-o-toluic acid
- 2-Chloromethyl benzoic acid
- Benzoic acid,2-(chloromethyl)-
- YTEUDCIEJDRJTM-UHFFFAOYSA-N
- BCP26853
- SBB062706
- OR2330
- FCH919363
- AS00738
- VZ24425
- B
- 2-(Chloromethyl)benzoic acid (ACI)
- o-Toluic acid, α-chloro- (6CI)
- 85888-81-9
- AS-11692
- A841479
- EN300-33487
- 2-(Chloromethyl)benzoic acid, >=97.0% (GC)
- SCHEMBL602386
- SY030487
- MFCD06208434
- AKOS005137898
- DB-005785
- DTXSID60304490
- NSC-165904
- 2-Chloromethylbenzoic Acid
-
- MDL: MFCD06208434
- Inchi: 1S/C8H7ClO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,5H2,(H,10,11)
- InChI Key: YTEUDCIEJDRJTM-UHFFFAOYSA-N
- SMILES: O=C(C1C(CCl)=CC=CC=1)O
- BRN: 1940772
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: 2
- Complexity: 147
- 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: nothing
- XLogP3: 2.5
- Topological Polar Surface Area: 37.3
Experimental Properties
- Color/Form: No data available
- Density: 1.3±0.1 g/cm3
- Melting Point: 135-139°C
- Boiling Point: 305.7±17.0 °C at 760 mmHg
- Flash Point: 138.7±20.9 °C
- Refractive Index: 1.576
- PSA: 37.30000
- LogP: 2.12360
2-Chloromethylbenzoic Acid Security Information
-
Symbol:
- Signal Word:Danger
- Hazard Statement: H302-H314
- Warning Statement: P260; P264; P270; P280; P301+P312; P301+P330+P331; P303+P361+P353; P304+P340; P305+P351+P338; P310; P321; P363; P405; P501
- Hazardous Material transportation number:UN 3261 8 / PGIII
- WGK Germany:3
- Hazard Category Code: 22-34
- Safety Instruction: 26-36/37/39-45
-
Hazardous Material Identification:
- HazardClass:8
- PackingGroup:III
- Storage Condition:?20°C
2-Chloromethylbenzoic 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%
2-Chloromethylbenzoic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 726400-1G |
2-Chloromethylbenzoic Acid |
85888-81-9 | 1g |
¥374.22 | 2023-11-26 | ||
| Matrix Scientific | 074961-1g |
2-(Chloromethyl)benzoic acid, 95+% |
85888-81-9 | 95+% | 1g |
$65.00 | 2023-09-10 | |
| Matrix Scientific | 074961-5g |
2-(Chloromethyl)benzoic acid, 95+% |
85888-81-9 | 95+% | 5g |
$163.00 | 2023-09-10 | |
| Matrix Scientific | 074961-10g |
2-(Chloromethyl)benzoic acid, 95+% |
85888-81-9 | 95+% | 10g |
$255.00 | 2023-09-10 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C844518-25g |
2-(Chloromethyl)benzoic acid |
85888-81-9 | 95% | 25g |
2,080.00 | 2021-05-17 | |
| TRC | C369108-500mg |
2-Chloromethylbenzoic Acid |
85888-81-9 | 500mg |
$ 75.00 | 2023-04-18 | ||
| TRC | C369108-1g |
2-Chloromethylbenzoic Acid |
85888-81-9 | 1g |
$ 90.00 | 2022-04-28 | ||
| TRC | C369108-2.5g |
2-Chloromethylbenzoic Acid |
85888-81-9 | 2.5g |
$ 207.00 | 2023-04-18 | ||
| TRC | C369108-5g |
2-Chloromethylbenzoic Acid |
85888-81-9 | 5g |
$ 385.00 | 2023-04-18 | ||
| Alichem | A019093981-1kg |
2-(Chloromethyl)benzoic acid |
85888-81-9 | 95% | 1kg |
$4870.00 | 2023-08-31 |
2-Chloromethylbenzoic Acid Suppliers
2-Chloromethylbenzoic Acid Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
Additional information on 2-Chloromethylbenzoic Acid
Comprehensive Guide to 2-Chloromethylbenzoic Acid (CAS No. 85888-81-9): Properties, Applications, and Market Insights
2-Chloromethylbenzoic Acid (CAS No. 85888-81-9) is a versatile organic compound widely used in pharmaceutical synthesis, agrochemical production, and specialty chemical applications. This chlorinated benzoic acid derivative features a reactive chloromethyl group attached to the benzene ring, making it a valuable chemical intermediate for various industrial processes. With the increasing demand for fine chemicals and pharmaceutical intermediates, understanding the properties and applications of this compound has become crucial for researchers and manufacturers alike.
The molecular structure of 2-Chloromethylbenzoic Acid consists of a benzoic acid moiety with a chloromethyl substituent at the 2-position. This unique arrangement gives the compound its characteristic reactivity, particularly in nucleophilic substitution reactions. The presence of both carboxylic acid and chloromethyl functional groups allows for diverse chemical transformations, making it a popular choice in multi-step synthetic routes. Recent studies have highlighted its importance in developing biologically active molecules, aligning with current trends in drug discovery and medicinal chemistry.
In pharmaceutical applications, 2-Chloromethylbenzoic Acid serves as a key building block for various active pharmaceutical ingredients (APIs). Its structural features make it particularly useful in synthesizing compounds with potential anti-inflammatory and antimicrobial properties. The compound's versatility has attracted attention in the development of targeted therapies, especially in the context of personalized medicine approaches that are currently revolutionizing healthcare. Researchers are exploring its potential in creating novel small molecule drugs that address unmet medical needs.
The agrochemical industry also benefits from 2-Chloromethylbenzoic Acid as an intermediate in producing crop protection agents. With growing global concerns about food security and sustainable agriculture, this compound plays a role in developing more efficient and environmentally friendly pesticides and herbicides. Its chemical properties allow for the creation of compounds with improved biodegradability and target specificity, addressing current demands for greener agrochemicals.
From a manufacturing perspective, 2-Chloromethylbenzoic Acid production involves carefully controlled organic synthesis processes to ensure high purity and yield. Modern process optimization techniques, including continuous flow chemistry and catalyzed reactions, have improved the efficiency of its production. These advancements align with the chemical industry's push toward green chemistry principles and reduced environmental impact, making the compound more accessible while minimizing waste generation.
The global market for 2-Chloromethylbenzoic Acid has shown steady growth, driven by increasing demand from the pharmaceutical sector and agrochemical industry. Market analysts note particular interest from regions with strong generic drug manufacturing capabilities and expanding agricultural production. Current supply chain trends emphasize the importance of reliable chemical sourcing and quality assurance, especially for critical intermediates like this compound.
Quality control for 2-Chloromethylbenzoic Acid typically involves advanced analytical techniques such as HPLC analysis, mass spectrometry, and NMR spectroscopy. These methods ensure the compound meets stringent purity requirements for various applications. The development of improved analytical methods continues to be an area of research, particularly for detecting and quantifying potential process-related impurities that might affect downstream applications.
Storage and handling of 2-Chloromethylbenzoic Acid require standard precautions for organic acids and chlorinated compounds. Proper chemical storage conditions, including temperature control and moisture protection, help maintain the compound's stability over time. These considerations are particularly important for manufacturers and distributors managing chemical inventories and ensuring product integrity throughout the supply chain.
Recent innovations in chemical synthesis have opened new possibilities for modifying 2-Chloromethylbenzoic Acid derivatives. Researchers are exploring its potential in material science applications, particularly in developing functional polymers and specialty coatings. These developments align with broader industry trends toward high-performance materials with tailored properties for specific applications.
Environmental considerations for 2-Chloromethylbenzoic Acid focus on waste management and byproduct treatment during manufacturing. The chemical industry continues to develop improved waste treatment methods and recycling processes for such intermediates, addressing growing concerns about industrial sustainability and circular economy principles in chemical production.
Looking ahead, 2-Chloromethylbenzoic Acid is expected to maintain its importance as a versatile chemical intermediate across multiple industries. Ongoing research into its applications and the development of more efficient production methods will likely drive further innovation. As the chemical sector continues to evolve toward sustainable practices and green chemistry, this compound's role in enabling these transitions makes it a subject of continued interest for researchers and industrial chemists alike.
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