Cas no 161622-14-6 (4-Bromo-3-(trifluoromethyl)benzoic acid)
4-Bromo-3-(trifluoromethyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-bromo-3-(trifluoromethyl)benzoic acid
- Benzoic acid,4-bromo-3-(trifluoromethyl)-
- C8H4BrF3O2
- 2-Bromo-5-carboxybenzotrifluoride
- 2-Bromo-5-carboxybenzotrifluoride, 4-Bromo-alpha,alpha,alpha-trifluoro-m-toluic acid
- 4-Bromo-3-trifluoromethylbenzoic acid
- 4-Bromo-3-(trifluoromethyl)benzoicacid
- 4-Bromo-3-trifluoromethyl-benzoic acid
- benzoic acid, 4-bromo-3-(trifluoromethyl)-
- PubChem4739
- KSC495E3H
- Jsp003227
- GPBPFDPENZHCPR-UHFFFAOYSA-N
- SBB052699
- FC1108
- CL8109
- TRA0074379
- CM12553
- AS00951
- SCHEMBL321273
- 161622-14-6
- FT-0651163
- MFCD08459288
- EN300-104639
- EPW88C2CLQ
- Z1269119256
- BAA62214
- B4821
- PS-7294
- AKOS005063764
- A19970
- SB40554
- CS-W008399
- 4-bromanyl-3-(trifluoromethyl)benzoic acid
- A810280
- J-514700
- AC-1521
- AM20060008
- SY023690
- 1622-14-6
- FT-0659171
- 4-BroMo-3-(trifluoroMethyl)benzoic acid, 95+%
- DB-022312
- DB-011305
- 4-Bromo-3-(trifluoromethyl)benzoic acid
-
- MDL: MFCD08459288
- Inchi: 1S/C8H4BrF3O2/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H,13,14)
- InChI Key: GPBPFDPENZHCPR-UHFFFAOYSA-N
- SMILES: BrC1=CC=C(C(=O)O)C=C1C(F)(F)F
Computed Properties
- Exact Mass: 267.93500
- Monoisotopic Mass: 267.93468g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 229
- 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: 3
- Topological Polar Surface Area: 37.3
Experimental Properties
- Density: 1.773
- Melting Point: 189-192°C
- Boiling Point: 289.2℃ at 760 mmHg
- PSA: 37.30000
- LogP: 3.16610
- Sensitiveness: Light Sensitive/Air Sensitive
4-Bromo-3-(trifluoromethyl)benzoic acid Security Information
- Signal Word:Warning
- Hazard Statement: H315; H319; H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
-
Hazardous Material Identification:
- Storage Condition:Store at room temperature
4-Bromo-3-(trifluoromethyl)benzoic 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%
4-Bromo-3-(trifluoromethyl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 074063-5g |
4-Bromo-3-(trifluoromethyl)benzoic acid, 95+% |
161622-14-6 | 95+% | 5g |
$44.00 | 2023-09-10 | |
| Matrix Scientific | 074063-25g |
4-Bromo-3-(trifluoromethyl)benzoic acid, 95+% |
161622-14-6 | 95+% | 25g |
$115.00 | 2023-09-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-VM054-1g |
4-Bromo-3-(trifluoromethyl)benzoic acid |
161622-14-6 | 98% | 1g |
¥88.0 | 2022-06-10 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | B829052-25g |
4-Bromo-3-(trifluoromethyl)benzoicacid |
161622-14-6 | 97% | 25g |
¥427.00 | 2022-01-12 | |
| Matrix Scientific | 074063-1g |
4-Bromo-3-(trifluoromethyl)benzoic acid, 95+% |
161622-14-6 | 95+% | 1g |
$15.00 | 2023-09-10 | |
| TRC | B695483-100mg |
4-Bromo-3-(trifluoromethyl)benzoic acid |
161622-14-6 | 100mg |
$ 64.00 | 2023-04-18 | ||
| TRC | B695483-250mg |
4-Bromo-3-(trifluoromethyl)benzoic acid |
161622-14-6 | 250mg |
$ 75.00 | 2023-04-18 | ||
| TRC | B695483-500mg |
4-Bromo-3-(trifluoromethyl)benzoic acid |
161622-14-6 | 500mg |
$ 87.00 | 2023-04-18 | ||
| TRC | B695483-1g |
4-Bromo-3-(trifluoromethyl)benzoic acid |
161622-14-6 | 1g |
$ 80.00 | 2022-06-06 | ||
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R004815-1g |
4-Bromo-3-(trifluoromethyl)benzoic acid |
161622-14-6 | 97% | 1g |
¥28 | 2024-05-25 |
4-Bromo-3-(trifluoromethyl)benzoic acid Suppliers
4-Bromo-3-(trifluoromethyl)benzoic acid Related Literature
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Lin Qiu,Hao Jiang,Yanbo Yu,Jiwei Gu,Jinzhi Wang,Haiyang Zhao,Tianyu Huang,Robert J. Gropler,Robyn S. Klein,Joel S. Perlmutter,Zhude Tu Org. Biomol. Chem. 2022 20 1041
Additional information on 4-Bromo-3-(trifluoromethyl)benzoic acid
4-Bromo-3-(trifluoromethyl)benzoic Acid (CAS No. 161622-14-6): An Overview of Its Properties, Applications, and Recent Research
4-Bromo-3-(trifluoromethyl)benzoic acid (CAS No. 161622-14-6) is a versatile organic compound that has gained significant attention in the fields of chemistry, biology, and pharmaceutical research. This compound is characterized by its unique structure, which includes a bromine atom and a trifluoromethyl group attached to a benzene ring, along with a carboxylic acid functional group. These features contribute to its diverse applications in various scientific and industrial domains.
The chemical structure of 4-bromo-3-(trifluoromethyl)benzoic acid is particularly noteworthy. The bromine atom provides the molecule with halogenated properties, which can influence its reactivity and solubility. The trifluoromethyl group, known for its electron-withdrawing effect, enhances the compound's stability and lipophilicity. The carboxylic acid group, on the other hand, imparts acidic properties and can participate in various chemical reactions, such as esterification and amide formation.
In terms of physical properties, 4-bromo-3-(trifluoromethyl)benzoic acid is a white crystalline solid at room temperature. It has a melting point of approximately 170-172°C and is soluble in common organic solvents like ethanol, methanol, and dimethyl sulfoxide (DMSO). These properties make it suitable for use in a wide range of chemical reactions and analytical techniques.
The synthesis of 4-bromo-3-(trifluoromethyl)benzoic acid can be achieved through several methods. One common approach involves the bromination of 3-(trifluoromethyl)benzoic acid using bromine or N-bromosuccinimide (NBS). Another method involves the reaction of 3-(trifluoromethyl)benzoyl chloride with sodium bromide in an appropriate solvent. These synthetic routes have been optimized to yield high purity products with minimal side reactions.
Applications of 4-bromo-3-(trifluoromethyl)benzoic acid are diverse and span multiple fields. In pharmaceutical research, this compound serves as an important building block for the synthesis of various drugs and drug candidates. Its unique structure makes it particularly useful in the development of inhibitors for specific enzymes and receptors. For example, recent studies have explored its potential as an inhibitor of histone deacetylases (HDACs), which are key targets in cancer therapy.
In agrochemicals, 4-bromo-3-(trifluoromethyl)benzoic acid is used as an intermediate in the synthesis of herbicides and pesticides. Its halogenated and trifluoromethyl groups contribute to the effectiveness of these compounds by enhancing their stability and bioactivity against target organisms.
In materials science, this compound has been investigated for its potential use in the development of functional materials, such as polymers and coatings. The presence of the carboxylic acid group allows for easy functionalization, making it a valuable precursor for creating materials with specific properties.
Recent research has further expanded our understanding of 4-bromo-3-(trifluoromethyl)benzoic acid's biological activities. A study published in the *Journal of Medicinal Chemistry* reported that derivatives of this compound exhibit potent anti-inflammatory effects by inhibiting the production of pro-inflammatory cytokines. Another study in *Organic Letters* demonstrated its utility as a scaffold for designing selective inhibitors of protein-protein interactions, which are crucial for many cellular processes.
The environmental impact of 4-bromo-3-(trifluoromethyl)benzoic acid is also an area of interest. Researchers are investigating its biodegradability and potential environmental fate to ensure its safe use in industrial applications. Preliminary studies suggest that it degrades slowly under natural conditions but can be effectively managed through proper disposal practices.
In conclusion, 4-bromo-3-(trifluoromethyl)benzoic acid (CAS No. 161622-14-6) is a multifaceted compound with significant potential in various scientific and industrial applications. Its unique chemical structure, physical properties, and biological activities make it an important molecule for ongoing research and development efforts. As new studies continue to uncover its properties and applications, this compound is likely to play an increasingly important role in advancing our understanding and capabilities in chemistry, biology, and pharmaceutical science.
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