Cas no 96450-55-4 (1-(2-Chloroethyl)-3-methyl-1H-pyrazole)
1-(2-Chloroethyl)-3-methyl-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
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- 1-(2-Chloroethyl)-3-methyl-1H-pyrazole
- 1-(2-chloroethyl)-3-methylpyrazole
- 1-(2-chloroethyl)-3-methyl-1H-pyrazole(SALTDATA: FREE)
- WDA45055
- CS-0315344
- 2-(3-methyl-1H-pyrazol-1-yl)ethyl chloride
- CHEMBRDG-BB 4014435
- 1-(2-Chloroethyl)-3-methyl-1H-pyrazole, AldrichCPR
- VS-08982
- SCHEMBL1764531
- AKOS006281412
- FT-0734175
- 96450-55-4
- AURQGZNPLSCBKR-UHFFFAOYSA-N
- MFCD00607988
- DTXSID80548819
- BBL028809
- DA-18512
- STK801659
-
- MDL: MFCD00607988
- Inchi: 1S/C6H9ClN2/c1-6-2-4-9(8-6)5-3-7/h2,4H,3,5H2,1H3
- InChI Key: AURQGZNPLSCBKR-UHFFFAOYSA-N
- SMILES: ClCCN1C=CC(C)=N1
Computed Properties
- Exact Mass: 144.04500
- Monoisotopic Mass: 144.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 87.1
- 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: 1.2
- Topological Polar Surface Area: 17.8A^2
Experimental Properties
- Density: 1.16
- Boiling Point: 213.2°C at 760 mmHg
- Flash Point: 82.7°C
- Refractive Index: 1.541
- PSA: 17.82000
- LogP: 1.43030
1-(2-Chloroethyl)-3-methyl-1H-pyrazole Security Information
- Hazardous Material transportation number:NONH for all modes of transport
- Hazard Category Code: 22
-
Hazardous Material Identification:
1-(2-Chloroethyl)-3-methyl-1H-pyrazole Customs Data
- HS CODE:2933199090
- Customs Data:
China Customs Code:
2933199090Overview:
2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1-(2-Chloroethyl)-3-methyl-1H-pyrazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | CBR00194-1G |
1-(2-Chloroethyl)-3-methyl-1H-pyrazole |
96450-55-4 | 1g |
¥2336.77 | 2023-11-10 | ||
| Chemenu | CM304607-1g |
1-(2-Chloroethyl)-3-methyl-1H-pyrazole |
96450-55-4 | 95% | 1g |
$388 | 2021-08-18 | |
| TRC | C645045-100mg |
1-(2-chloroethyl)-3-methyl-1H-pyrazole |
96450-55-4 | 100mg |
$ 70.00 | 2022-06-02 | ||
| TRC | C645045-500mg |
1-(2-chloroethyl)-3-methyl-1H-pyrazole |
96450-55-4 | 500mg |
$ 230.00 | 2022-06-02 | ||
| TRC | C645045-1g |
1-(2-chloroethyl)-3-methyl-1H-pyrazole |
96450-55-4 | 1g |
$ 340.00 | 2022-06-02 | ||
| Chemenu | CM304607-1g |
1-(2-Chloroethyl)-3-methyl-1H-pyrazole |
96450-55-4 | 95% | 1g |
$*** | 2023-05-04 | |
| Chemenu | CM304607-5g |
1-(2-Chloroethyl)-3-methyl-1H-pyrazole |
96450-55-4 | 95% | 5g |
$*** | 2023-05-04 | |
| abcr | AB217211-1 g |
1-(2-Chloroethyl)-3-methyl-1H-pyrazole; 95% |
96450-55-4 | 1g |
€128.60 | 2022-03-04 | ||
| abcr | AB217211-5 g |
1-(2-Chloroethyl)-3-methyl-1H-pyrazole; 95% |
96450-55-4 | 5g |
€314.90 | 2022-03-04 | ||
| abcr | AB217211-10 g |
1-(2-Chloroethyl)-3-methyl-1H-pyrazole; 95% |
96450-55-4 | 10g |
€473.60 | 2022-03-04 |
1-(2-Chloroethyl)-3-methyl-1H-pyrazole Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
Additional information on 1-(2-Chloroethyl)-3-methyl-1H-pyrazole
Comprehensive Overview of 1-(2-Chloroethyl)-3-methyl-1H-pyrazole (CAS No. 96450-55-4)
1-(2-Chloroethyl)-3-methyl-1H-pyrazole (CAS No. 96450-55-4) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This heterocyclic molecule features a pyrazole ring substituted with a chloroethyl group and a methyl group, making it a versatile intermediate for synthesizing more complex structures. Researchers and industries are increasingly exploring its potential due to its unique reactivity and applicability in drug discovery and crop protection formulations.
The compound’s molecular structure, C6H9ClN2, combines a chloroethyl side chain with a 3-methylpyrazole core, which contributes to its stability and reactivity under controlled conditions. Its synthesis typically involves the alkylation of 3-methyl-1H-pyrazole with 1-bromo-2-chloroethane, followed by purification steps to achieve high purity. The presence of the chloroethyl group enables further functionalization, making it valuable for creating derivatives with tailored properties.
In recent years, the demand for 1-(2-Chloroethyl)-3-methyl-1H-pyrazole has risen alongside advancements in small-molecule drug development and sustainable agriculture. For instance, its derivatives are investigated for their potential as kinase inhibitors or as precursors for herbicide-resistant formulations. This aligns with global trends toward precision farming and targeted therapies, where users frequently search for terms like "pyrazole-based agrochemicals" or "chloroethyl heterocycles in drug design."
From a safety and handling perspective, 1-(2-Chloroethyl)-3-methyl-1H-pyrazole requires standard laboratory precautions, including the use of personal protective equipment (PPE) and proper ventilation. While not classified as hazardous under normal conditions, its reactivity warrants careful storage away from strong oxidizers. These precautions are often highlighted in search queries such as "safe handling of chloroethyl compounds" or "stability of pyrazole derivatives."
The compound’s applications extend to material science, where its heterocyclic framework is leveraged to develop novel polymers or coatings. Researchers are also exploring its role in catalysis, particularly in cross-coupling reactions, which are pivotal for constructing complex organic molecules. Such interdisciplinary relevance makes it a frequent topic in academic literature and patent filings.
In summary, 1-(2-Chloroethyl)-3-methyl-1H-pyrazole (CAS No. 96450-55-4) is a multifaceted compound with broad utility in pharmaceuticals, agriculture, and materials science. Its structural features, including the chloroethyl and methylpyrazole moieties, enable diverse chemical modifications, aligning with contemporary research priorities. As interest grows in sustainable chemistry and tailored molecular design, this compound remains a key subject for innovation and industrial application.
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