Cas no 394729-68-1 (1H-Pyrazole, 1-(2-chloro-1-oxo-2-propenyl)-)
394729-68-1 structure
Product Name:1H-Pyrazole, 1-(2-chloro-1-oxo-2-propenyl)-
CAS No:394729-68-1
MF:C6H5ClN2O
MW:156.56970000267
CID:1507873
Update Time:2024-08-23
1H-Pyrazole, 1-(2-chloro-1-oxo-2-propenyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole, 1-(2-chloro-1-oxo-2-propenyl)-
- 2-Propen-1-one, 2-chloro-1-(1H-pyrazol-1-yl)-
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- Inchi： 1S/C6H5ClN2O/c1-5(7)6(10)9-4-2-3-8-9/h2-4H,1H2
- InChI Key： ROVUBTUOPDYPDX-UHFFFAOYSA-N
- SMILES： C(N1C=CC=N1)(=O)C(Cl)=C
Computed Properties
- Exact Mass: 156.00915
Experimental Properties
- Density: 1.28±0.1 g/cm3(Predicted)
- Boiling Point: 270.7±42.0 °C(Predicted)
- PSA: 34.89
- pka: -1.49±0.12(Predicted)
1H-Pyrazole, 1-(2-chloro-1-oxo-2-propenyl)- Related Literature
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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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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