Cas no 106101-45-5 (3-Pyridinecarbonitrile, 4-chloro-2,6-dimethyl-, 1-oxide)
106101-45-5 structure
Product Name:3-Pyridinecarbonitrile, 4-chloro-2,6-dimethyl-, 1-oxide
CAS No:106101-45-5
MF:C8H7ClN2O
MW:182.60698056221
CID:1171149
Update Time:2024-07-25
3-Pyridinecarbonitrile, 4-chloro-2,6-dimethyl-, 1-oxide Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinecarbonitrile, 4-chloro-2,6-dimethyl-, 1-oxide
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- Inchi： 1S/C8H7ClN2O/c1-5-3-8(9)7(4-10)6(2)11(5)12/h3H,1-2H3
- InChI Key： CJKQHPNDXNMTJN-UHFFFAOYSA-N
- SMILES： C1(C)[N+]([O-])=C(C)C=C(Cl)C=1C#N
Computed Properties
- Exact Mass: 182.02481
Experimental Properties
- Density: 1.25±0.1 g/cm3(Predicted)
- Boiling Point: 451.8±40.0 °C(Predicted)
- PSA: 50.73
- pka: 0.02±0.10(Predicted)
3-Pyridinecarbonitrile, 4-chloro-2,6-dimethyl-, 1-oxide Related Literature
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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