Cas no 2138176-30-2 (methyl 4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate)
Methyl 4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate is a fluorinated pyrazole derivative 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 5-position—enhance reactivity and stability, making it a versatile intermediate for heterocyclic chemistry. The methyl ester group facilitates further functionalization, while the trifluoromethyl moiety contributes to improved lipophilicity and bioactivity. This compound is particularly valuable in the development of crop protection agents and bioactive molecules due to its electrophilic sites and resistance to metabolic degradation. Its well-defined purity and consistent performance make it suitable for precision applications in research and industrial processes.
2138176-30-2 structure
Product Name:methyl 4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate
CAS No:2138176-30-2
MF:C7H6ClF3N2O2
MW:242.582951068878
CID:5995575
PubChem ID:165460219
Update Time:2025-05-28
methyl 4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate Chemical and Physical Properties
Names and Identifiers
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- EN300-731983
- 2138176-30-2
- Z2929829656
- methyl 4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate
-
- Inchi: 1S/C7H6ClF3N2O2/c1-13-5(7(9,10)11)3(8)4(12-13)6(14)15-2/h1-2H3
- InChI Key: SHDOGTOOQHQPEB-UHFFFAOYSA-N
- SMILES: ClC1C(C(=O)OC)=NN(C)C=1C(F)(F)F
Computed Properties
- Exact Mass: 242.0069896g/mol
- Monoisotopic Mass: 242.0069896g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 261
- 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
- Topological Polar Surface Area: 44.1?2
methyl 4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-731983-1.0g |
methyl 4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate |
2138176-30-2 | 1g |
$0.0 | 2023-06-06 |
methyl 4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxylate Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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4. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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