Cas no 182924-30-7 (1H-Pyrazole-4-carboxaldehyde,5-chloro-1-(1,1-dimethylethyl)-3-(trifluoromethyl)-)
182924-30-7 structure
Product Name:1H-Pyrazole-4-carboxaldehyde,5-chloro-1-(1,1-dimethylethyl)-3-(trifluoromethyl)-
CAS No:182924-30-7
MF:C9H10ClF3N2O
MW:254.636711597443
CID:1381642
Update Time:2024-08-16
1H-Pyrazole-4-carboxaldehyde,5-chloro-1-(1,1-dimethylethyl)-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-4-carboxaldehyde,5-chloro-1-(1,1-dimethylethyl)-3-(trifluoromethyl)-
- 1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-(1,1-dimethylethyl)-3-(trifluoromethyl)-
-
- Inchi： 1S/C9H10ClF3N2O/c1-8(2,3)15-7(10)5(4-16)6(14-15)9(11,12)13/h4H,1-3H3
- InChI Key： FPRCFSPOHNIVJZ-UHFFFAOYSA-N
- SMILES： N1(C(C)(C)C)C(Cl)=C(C=O)C(C(F)(F)F)=N1
Computed Properties
- Exact Mass: 254.0435
Experimental Properties
- Density: 1.35±0.1 g/cm3(Predicted)
- Boiling Point: 273.6±40.0 °C(Predicted)
- PSA: 34.89
- pka: -3.97±0.10(Predicted)
1H-Pyrazole-4-carboxaldehyde,5-chloro-1-(1,1-dimethylethyl)-3-(trifluoromethyl)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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