Cas no 628330-63-2 (1H-Pyrazole-4-carboxaldehyde,3-(1-methylethyl)-1-[4-(trifluoromethyl)phenyl]-)
628330-63-2 structure
Product Name:1H-Pyrazole-4-carboxaldehyde,3-(1-methylethyl)-1-[4-(trifluoromethyl)phenyl]-
CAS No:628330-63-2
MF:C14H13F3N2O
MW:282.261033773422
CID:1640645
Update Time:2024-09-12
1H-Pyrazole-4-carboxaldehyde,3-(1-methylethyl)-1-[4-(trifluoromethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-4-carboxaldehyde,3-(1-methylethyl)-1-[4-(trifluoromethyl)phenyl]-
- 1H-Pyrazole-4-carboxaldehyde, 3-(1-methylethyl)-1-[4-(trifluoromethyl)phenyl]-
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- Inchi: 1S/C14H13F3N2O/c1-9(2)13-10(8-20)7-19(18-13)12-5-3-11(4-6-12)14(15,16)17/h3-9H,1-2H3
- InChI Key: IWTQEBZOMNHAJX-UHFFFAOYSA-N
- SMILES: N1(C2=CC=C(C(F)(F)F)C=C2)C=C(C=O)C(C(C)C)=N1
Computed Properties
- Exact Mass: 282.09809
Experimental Properties
- Density: 1.24±0.1 g/cm3(Predicted)
- Boiling Point: 349.5±42.0 °C(Predicted)
- PSA: 34.89
- pka: -2.61±0.10(Predicted)
1H-Pyrazole-4-carboxaldehyde,3-(1-methylethyl)-1-[4-(trifluoromethyl)phenyl]- Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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