Cas no 261763-17-1 (3-chloro-4-(trifluoromethoxy)-Benzoyl chloride)
3-chloro-4-(trifluoromethoxy)-Benzoyl chloride Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride,3-chloro-4-(trifluoromethoxy)-
- 3-Chloro-4-(trifluoromethoxy)benzoyl chloride
- GVR CG DOXFFF
- 3-Chloro-4-(trifluoromethoxy)benzoyl chloride, AldrichCPR
- BAFYBTOKEKLGKH-UHFFFAOYSA-N
- 261763-17-1
- JS-4148
- Benzoyl chloride, 3-chloro-4-(trifluoromethoxy)-
- DTXSID50378746
- AKOS015955993
- MFCD01631558
- 3-chloro-4-(trifluoromethoxy)-Benzoyl chloride
-
- MDL: MFCD01631558
- Inchi: 1S/C8H3Cl2F3O2/c9-5-3-4(7(10)14)1-2-6(5)15-8(11,12)13/h1-3H
- InChI Key: BAFYBTOKEKLGKH-UHFFFAOYSA-N
- SMILES: ClC1C=C(C(=O)Cl)C=CC=1OC(F)(F)F
Computed Properties
- Exact Mass: 257.94629
- Monoisotopic Mass: 257.9462192g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 245
- 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: 4.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.54
- Boiling Point: 248.5°C at 760 mmHg
- Flash Point: 99.7°C
- Refractive Index: 1.488
- PSA: 26.3
3-chloro-4-(trifluoromethoxy)-Benzoyl chloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | C14435-1g |
3-Chloro-4-(trifluoromethoxy)benzoyl chloride |
261763-17-1 | 1g |
1579CNY | 2021-05-08 | ||
| Alichem | A013025958-250mg |
3-Chloro-4-(trifluoromethoxy)benzoyl chloride |
261763-17-1 | 97% | 250mg |
$504.00 | 2023-09-02 | |
| Alichem | A013025958-500mg |
3-Chloro-4-(trifluoromethoxy)benzoyl chloride |
261763-17-1 | 97% | 500mg |
$798.70 | 2023-09-02 | |
| Alichem | A013025958-1g |
3-Chloro-4-(trifluoromethoxy)benzoyl chloride |
261763-17-1 | 97% | 1g |
$1445.30 | 2023-09-02 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | C14435-1g |
3-Chloro-4-(trifluoromethoxy)benzoyl chloride |
261763-17-1 | 1g |
1579.0CNY | 2021-07-13 | ||
| Apollo Scientific | PC0179-1g |
3-Chloro-4-(trifluoromethoxy)benzoyl chloride |
261763-17-1 | 98% | 1g |
£34.00 | 2025-02-19 | |
| Apollo Scientific | PC0179-5g |
3-Chloro-4-(trifluoromethoxy)benzoyl chloride |
261763-17-1 | 98% | 5g |
£102.00 | 2025-02-19 | |
| Apollo Scientific | PC0179-10g |
3-Chloro-4-(trifluoromethoxy)benzoyl chloride |
261763-17-1 | 98% | 10g |
£179.00 | 2025-02-19 | |
| TRC | C014010-100mg |
3-chloro-4-(trifluoromethoxy)-Benzoyl chloride |
261763-17-1 | 100mg |
$ 75.00 | 2023-04-18 | ||
| TRC | C014010-500mg |
3-chloro-4-(trifluoromethoxy)-Benzoyl chloride |
261763-17-1 | 500mg |
$ 282.00 | 2023-04-18 |
3-chloro-4-(trifluoromethoxy)-Benzoyl chloride Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
Additional information on 3-chloro-4-(trifluoromethoxy)-Benzoyl chloride
Introduction to 3-chloro-4-(trifluoromethoxy)-Benzoyl chloride (CAS No: 261763-17-1)
3-chloro-4-(trifluoromethoxy)-Benzoyl chloride, identified by its Chemical Abstracts Service (CAS) number 261763-17-1, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound belongs to the class of benzoyl chlorides, which are widely utilized as intermediates in the synthesis of various bioactive molecules. The presence of both a chloro group and a trifluoromethoxy substituent in its molecular structure imparts unique reactivity and functionality, making it a valuable tool in medicinal chemistry and synthetic organic chemistry.
The structural features of 3-chloro-4-(trifluoromethoxy)-Benzoyl chloride contribute to its versatility in chemical transformations. The chloro group at the 3-position enhances electrophilicity, facilitating nucleophilic substitution reactions, while the trifluoromethoxy group at the 4-position introduces electron-withdrawing effects and metabolic stability. These properties make it an ideal candidate for constructing complex molecular architectures, particularly in the development of novel pharmaceutical agents.
In recent years, there has been a growing interest in fluorinated aromatic compounds due to their enhanced biological activity and improved pharmacokinetic profiles. The incorporation of fluorine atoms into drug molecules often leads to increased lipophilicity, reduced metabolic clearance, and improved binding affinity to biological targets. The trifluoromethoxy group in 3-chloro-4-(trifluoromethoxy)-Benzoyl chloride aligns with this trend, making it a promising building block for designing next-generation therapeutics.
One of the most compelling applications of 3-chloro-4-(trifluoromethoxy)-Benzoyl chloride is in the synthesis of active pharmaceutical ingredients (APIs). Researchers have leveraged its reactivity to develop novel inhibitors targeting various biological pathways. For instance, studies have demonstrated its utility in generating potent kinase inhibitors, which are crucial for treating cancers and inflammatory diseases. The benzoyl chloride moiety allows for facile coupling with amines or hydroxyl groups, enabling the formation of amide or ester linkages that are prevalent in many drug molecules.
The pharmaceutical industry has also explored the use of 3-chloro-4-(trifluoromethoxy)-Benzoyl chloride in the development of antiviral and antibacterial agents. Its structural motifs have been incorporated into molecules designed to disrupt viral replication or inhibit bacterial enzymes. The trifluoromethoxy group, in particular, has been shown to enhance binding interactions with viral proteases and bacterial enzymes, thereby improving therapeutic efficacy.
Furthermore, advancements in computational chemistry have enabled more efficient design and optimization of molecules derived from 3-chloro-4-(trifluoromethoxy)-Benzoyl chloride. Molecular modeling studies have identified key structural determinants that enhance binding affinity and selectivity. These insights have guided the development of high-throughput screening assays, allowing researchers to rapidly identify lead compounds with improved pharmacological properties.
The synthetic utility of 3-chloro-4-(trifluoromethoxy)-Benzoyl chloride extends beyond pharmaceutical applications. It has been employed in materials science and agrochemical research, where fluorinated compounds are valued for their stability and resistance to degradation. For example, derivatives of this compound have been used to develop advanced polymers with enhanced thermal and chemical resistance.
In conclusion, 3-chloro-4-(trifluoromethoxy)-Benzoyl chloride (CAS No: 261763-17-1) represents a versatile and powerful intermediate in modern chemical synthesis. Its unique structural features make it an indispensable tool for medicinal chemists seeking to develop innovative therapeutic agents. As research continues to uncover new applications for fluorinated compounds, the importance of this compound is likely to grow further, solidifying its role as a cornerstone in synthetic organic chemistry.
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