Cas no 153863-45-7 (1H-Pyrazole-4-acetonitrile, 5-methyl-1-phenyl-)
153863-45-7 structure
Product Name:1H-Pyrazole-4-acetonitrile, 5-methyl-1-phenyl-
CAS No:153863-45-7
MF:C12H11N3
MW:197.235841989517
CID:1328414
Update Time:2024-08-18
1H-Pyrazole-4-acetonitrile, 5-methyl-1-phenyl- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-4-acetonitrile, 5-methyl-1-phenyl-
-
- Inchi： 1S/C12H11N3/c1-10-11(7-8-13)9-14-15(10)12-5-3-2-4-6-12/h2-6,9H,7H2,1H3
- InChI Key： WCEPDNRHXZLBJL-UHFFFAOYSA-N
- SMILES： N1(C2=CC=CC=C2)C(C)=C(CC#N)C=N1
Computed Properties
- Exact Mass: 197.09543
Experimental Properties
- Density: 1.09±0.1 g/cm3(Predicted)
- Boiling Point: 362.0±27.0 °C(Predicted)
- PSA: 41.61
- pka: 0.03±0.10(Predicted)
1H-Pyrazole-4-acetonitrile, 5-methyl-1-phenyl- Related Literature
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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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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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