Cas no 182924-31-8 (1H-Pyrazole-4-carbonitrile,5-chloro-1-(1,1-dimethylethyl)-3-(trifluoromethyl)-)
182924-31-8 structure
Product Name:1H-Pyrazole-4-carbonitrile,5-chloro-1-(1,1-dimethylethyl)-3-(trifluoromethyl)-
CAS No:182924-31-8
MF:C9H9ClF3N3
MW:251.636070966721
CID:1376360
Update Time:2024-08-16
1H-Pyrazole-4-carbonitrile,5-chloro-1-(1,1-dimethylethyl)-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-4-carbonitrile,5-chloro-1-(1,1-dimethylethyl)-3-(trifluoromethyl)-
- 1H-Pyrazole-4-carbonitrile, 5-chloro-1-(1,1-dimethylethyl)-3-(trifluoromethyl)-
-
- Inchi： 1S/C9H9ClF3N3/c1-8(2,3)16-7(10)5(4-14)6(15-16)9(11,12)13/h1-3H3
- InChI Key： OHMVFSHNJYUYEA-UHFFFAOYSA-N
- SMILES： N1(C(C)(C)C)C(Cl)=C(C#N)C(C(F)(F)F)=N1
Computed Properties
- Exact Mass: 251.04387
Experimental Properties
- Density: 1.34±0.1 g/cm3(Predicted)
- Boiling Point: 293.4±35.0 °C(Predicted)
- PSA: 41.61
- pka: -5.55±0.10(Predicted)
1H-Pyrazole-4-carbonitrile,5-chloro-1-(1,1-dimethylethyl)-3-(trifluoromethyl)- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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