Cas no 52989-18-1 (1H-Pyrazole-4-carbonitrile, 3-phenyl-5-(phenylamino)-)
52989-18-1 structure
Product Name:1H-Pyrazole-4-carbonitrile, 3-phenyl-5-(phenylamino)-
CAS No:52989-18-1
MF:C16H12N4
MW:260.29328250885
CID:1580331
Update Time:2024-08-24
1H-Pyrazole-4-carbonitrile, 3-phenyl-5-(phenylamino)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-4-carbonitrile, 3-phenyl-5-(phenylamino)-
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- Inchi： 1S/C16H12N4/c17-11-14-15(12-7-3-1-4-8-12)19-20-16(14)18-13-9-5-2-6-10-13/h1-10H,(H2,18,19,20)
- InChI Key： ZAPQXTGYYXIRNL-UHFFFAOYSA-N
- SMILES： N1C(NC2=CC=CC=C2)=C(C#N)C(C2=CC=CC=C2)=N1
Computed Properties
- Exact Mass: 260.10636
Experimental Properties
- Density: 1.30±0.1 g/cm3(Predicted)
- Melting Point: 211-212 °C(Solv: methanol (67-56-1))
- Boiling Point: 542.1±50.0 °C(Predicted)
- PSA: 64.5
- pka: 9.98±0.50(Predicted)
1H-Pyrazole-4-carbonitrile, 3-phenyl-5-(phenylamino)- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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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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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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