Cas no 656227-13-3 (2-Thiophenecarbonitrile, 5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-)
![2-Thiophenecarbonitrile, 5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]- structure](https://ossimg.kuujia.com/scimg/656500/656227-13-3x500.png)
656227-13-3 structure
Product Name:2-Thiophenecarbonitrile, 5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-
CAS No:656227-13-3
MF:C9H4F3N3S
MW:243.20837020874
CID:1689778
Update Time:2024-08-30
2-Thiophenecarbonitrile, 5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]- Chemical and Physical Properties
Names and Identifiers
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- 2-Thiophenecarbonitrile, 5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-
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- Inchi： 1S/C9H4F3N3S/c10-9(11,12)8-3-6(14-15-8)7-2-1-5(4-13)16-7/h1-3H,(H,14,15)
- InChI Key： LSAKSJXPEDNUJW-UHFFFAOYSA-N
- SMILES： C1(C#N)SC(C2C=C(C(F)(F)F)NN=2)=CC=1
Computed Properties
- Exact Mass: 243.00792
Experimental Properties
- Density: 1.57±0.1 g/cm3(Predicted)
- Boiling Point: 404.7±45.0 °C(Predicted)
- PSA: 52.47
- pka: 8.83±0.10(Predicted)
2-Thiophenecarbonitrile, 5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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