Cas no 74441-29-5 (1H-Pyrazole, 3-ethyl-5-methyl-1-phenyl-)
74441-29-5 structure
Product Name:1H-Pyrazole, 3-ethyl-5-methyl-1-phenyl-
CAS No:74441-29-5
MF:C12H14N2
MW:186.252962589264
CID:1771110
Update Time:2024-11-27
1H-Pyrazole, 3-ethyl-5-methyl-1-phenyl- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole, 3-ethyl-5-methyl-1-phenyl-
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- Inchi： 1S/C12H14N2/c1-3-11-9-10(2)14(13-11)12-7-5-4-6-8-12/h4-9H,3H2,1-2H3
- InChI Key： VVQXDCLMRWUMKM-UHFFFAOYSA-N
- SMILES： N1(C2=CC=CC=C2)C(C)=CC(CC)=N1
Computed Properties
- Exact Mass: 186.11582
Experimental Properties
- Density: 1.02±0.1 g/cm3(Predicted)
- Boiling Point: 288.3±9.0 °C(Predicted)
- PSA: 17.82
- pka: 1.70±0.10(Predicted)
1H-Pyrazole, 3-ethyl-5-methyl-1-phenyl- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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