Cas no 2089326-05-4 (4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole)
4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole is a fluorinated heterocyclic compound with significant utility in agrochemical and pharmaceutical synthesis. Its key structural features—a chloro substituent at the 4-position and a trifluoromethyl group at the 3-position—enhance reactivity and stability, making it a versatile intermediate for constructing complex molecules. The trifluoromethyl group imparts lipophilicity and metabolic resistance, while the chloro substituent facilitates further functionalization via cross-coupling or nucleophilic substitution. This compound is particularly valuable in the development of crop protection agents due to its ability to improve bioavailability and target specificity. Its well-defined purity and consistent performance make it a reliable choice for research and industrial applications.
2089326-05-4 structure
Product Name:4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CAS No:2089326-05-4
MF:C5H4ClF3N2
MW:184.546870231628
CID:6801710
PubChem ID:21219907
Update Time:2025-05-28
4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
-
- WGUQGMKOHDUVER-UHFFFAOYSA-N
- G69108
- 2089326-05-4
- SCHEMBL2611110
- 4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole
-
- Inchi: 1S/C5H4ClF3N2/c1-11-2-3(6)4(10-11)5(7,8)9/h2H,1H3
- InChI Key: WGUQGMKOHDUVER-UHFFFAOYSA-N
- SMILES: ClC1=CN(C)N=C1C(F)(F)F
Computed Properties
- Exact Mass: 184.0015103g/mol
- Monoisotopic Mass: 184.0015103g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 149
- 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: 1.8
- Topological Polar Surface Area: 17.8?2
4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | X196497A-100mg |
4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole |
2089326-05-4 | 0.97 | 100mg |
¥1189.8 | 2024-07-24 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | X196497A-250mg |
4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole |
2089326-05-4 | 0.97 | 250mg |
¥2021.4 | 2024-07-24 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | X196497A-1g |
4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole |
2089326-05-4 | 0.97 | 1g |
¥5455.8 | 2024-07-24 |
4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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