Cas no 138907-85-4 (1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid)
1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 1-(4-溴苯基)-1H-吡唑-4-羧酸
- 1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid
- 1-(4-bromophenyl)pyrazole-4-carboxylic Acid
- 1-(4-Bromo-phenyl)-1H-pyrazole-4-carboxylic acid
- AS06557
- CM10522
- 1-(4-bromophenyl)-1H-pyrazole-4-carboxylicacid
- 1H-PYRAZOLE-4-CARBOXYLIC ACID, 1-(4-BROMOPHENYL)
- 1-(4-Bromophenyl)-1H-pyrazole-4-carboxylic acid, AldrichCPR
- MFCD09941736
- AS-5828
- 1H-pyrazole-4-carboxylic acid, 1-(4-bromophenyl);
- CS-0249618
- F70143
- EN300-44129
- DTXSID901242040
- AB01002658-01
- AKOS000182742
- 138907-85-4
- SCHEMBL2856651
- Z317041826
- NFA90785
- 844-528-7
-
- MDL: MFCD09941736
- Inchi: 1S/C10H7BrN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15)
- InChI Key: GOJGAUFDFLULIK-UHFFFAOYSA-N
- SMILES: BrC1C=CC(=CC=1)N1C=C(C(=O)O)C=N1
Computed Properties
- Exact Mass: 265.96909g/mol
- Monoisotopic Mass: 265.96909g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 242
- 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: 2.1
- Topological Polar Surface Area: 55.1
Experimental Properties
- Density: 1.67±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: 202-203 oC
- Solubility: Very slightly soluble (0.59 g/l) (25 o C),
1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B804025-25mg |
1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid |
138907-85-4 | 25mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B804025-50mg |
1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid |
138907-85-4 | 50mg |
$ 95.00 | 2022-06-06 | ||
| TRC | B804025-250mg |
1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid |
138907-85-4 | 250mg |
$ 320.00 | 2022-06-06 | ||
| abcr | AB302109-500 mg |
1-(4-Bromo-phenyl)-1H-pyrazole-4-carboxylic acid; 95% |
138907-85-4 | 500 mg |
€252.10 | 2023-07-20 | ||
| abcr | AB302109-1 g |
1-(4-Bromo-phenyl)-1H-pyrazole-4-carboxylic acid; 95% |
138907-85-4 | 1 g |
€362.50 | 2023-07-20 | ||
| Enamine | EN300-44129-0.05g |
1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid |
138907-85-4 | 95.0% | 0.05g |
$39.0 | 2025-03-21 | |
| Enamine | EN300-44129-0.1g |
1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid |
138907-85-4 | 95.0% | 0.1g |
$57.0 | 2025-03-21 | |
| Enamine | EN300-44129-0.25g |
1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid |
138907-85-4 | 95.0% | 0.25g |
$82.0 | 2025-03-21 | |
| Enamine | EN300-44129-0.5g |
1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid |
138907-85-4 | 95.0% | 0.5g |
$128.0 | 2025-03-21 | |
| Enamine | EN300-44129-1.0g |
1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid |
138907-85-4 | 95.0% | 1.0g |
$165.0 | 2025-03-21 |
1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
Additional information on 1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid
Comprehensive Overview of 1-(4-Bromophenyl)-1H-pyrazole-4-carboxylic Acid (CAS No. 138907-85-4): Properties, Applications, and Industry Insights
1-(4-Bromophenyl)-1H-pyrazole-4-carboxylic acid (CAS No. 138907-85-4) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. This pyrazole derivative combines a bromophenyl moiety with a carboxylic acid functional group, making it a versatile intermediate for synthesizing biologically active molecules. Researchers and manufacturers frequently search for "pyrazole carboxylic acid derivatives" or "bromophenyl pyrazole synthesis" to explore its potential in drug discovery and material science.
The compound's molecular formula, C10H7BrN2O2, highlights its heterocyclic nature, which is pivotal for interactions in enzymatic systems. Its CAS number 138907-85-4 serves as a unique identifier in regulatory and commercial databases, ensuring precise tracking in supply chains. Recent trends show growing interest in "sustainable synthesis of halogenated pyrazoles" and "green chemistry approaches for bromophenyl compounds," reflecting the industry's shift toward eco-friendly production methods.
In pharmaceutical applications, 1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid acts as a key precursor for kinase inhibitors and anti-inflammatory agents. Its bromine substitution enhances binding affinity to target proteins, a feature often queried in searches like "role of halogens in drug design." Additionally, its carboxyl group allows further derivatization, enabling the creation of amides or esters for optimized bioavailability—a topic frequently discussed in "medicinal chemistry optimization strategies."
The agrochemical sector also leverages this compound for developing crop protection agents. Its structural motif aligns with modern pesticide design principles, particularly in systemic acquired resistance (SAR) inducers. Queries such as "pyrazole-based fungicides" or "bromophenyl compounds in agriculture" underscore its relevance. Recent studies emphasize its potential in addressing resistance management challenges, a hot topic in sustainable farming.
From a technical perspective, CAS 138907-85-4 exhibits a melting point range of 210–215°C and moderate solubility in polar organic solvents, which is critical for formulation scientists. Analytical techniques like HPLC and NMR are commonly employed for purity verification, as indicated by searches for "analytical methods for pyrazole carboxylic acids." Storage recommendations typically suggest ambient conditions in airtight containers to prevent degradation.
The market for 1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid is expanding, driven by demand for high-value chemical intermediates. Industry reports correlate this growth with the rise of "targeted drug discovery" and "precision agriculture." Suppliers often highlight batch-to-batch consistency and regulatory compliance as key purchasing criteria, reflecting broader concerns about quality control in fine chemicals.
Innovation in synthetic routes remains a focal point, with researchers investigating catalytic bromination methods and microwave-assisted cyclization to improve yields. These advancements address common search queries like "cost-effective synthesis of brominated heterocycles" and align with the pharmaceutical industry's push toward process intensification.
In summary, 1-(4-bromophenyl)-1H-pyrazole-4-carboxylic acid (CAS No. 138907-85-4) represents a critical building block in modern chemistry. Its dual utility in life sciences and material innovation positions it at the intersection of multiple high-growth sectors, making it a compound of enduring scientific and commercial interest.
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