Cas no 76982-34-8 (1H-Pyrazole-4-carbonitrile,5-amino-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-)
![1H-Pyrazole-4-carbonitrile,5-amino-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/77000/76982-34-8x500.png)
76982-34-8 structure
Product Name:1H-Pyrazole-4-carbonitrile,5-amino-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-
CAS No:76982-34-8
MF:C12H8F3N5O2
MW:311.219431877136
CID:1783093
Update Time:2024-11-27
1H-Pyrazole-4-carbonitrile,5-amino-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-4-carbonitrile,5-amino-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-
- 1H-Pyrazole-4-carbonitrile, 5-amino-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-
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- Inchi： 1S/C12H8F3N5O2/c1-6-8(5-16)11(17)19(18-6)9-3-2-7(12(13,14)15)4-10(9)20(21)22/h2-4H,17H2,1H3
- InChI Key： ZQYDPARINBRDDN-UHFFFAOYSA-N
- SMILES： N1(C2=CC=C(C(F)(F)F)C=C2[N+]([O-])=O)C(N)=C(C#N)C(C)=N1
Computed Properties
- Exact Mass: 311.06314
Experimental Properties
- Density: 1.58±0.1 g/cm3(Predicted)
- Melting Point: 215 °C(Solv: ethyl acetate (141-78-6))
- Boiling Point: 462.5±45.0 °C(Predicted)
- PSA: 110.77
- pka: -1.77±0.14(Predicted)
1H-Pyrazole-4-carbonitrile,5-amino-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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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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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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