Cas no 1253378-56-1 (Pyridine, 2-chloro-4-methyl-5-nitro-, 1-oxide)
1253378-56-1 structure
Product Name:Pyridine, 2-chloro-4-methyl-5-nitro-, 1-oxide
CAS No:1253378-56-1
MF:C6H5ClN2O3
MW:188.56850028038
CID:2140740
Update Time:2023-11-19
Pyridine, 2-chloro-4-methyl-5-nitro-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-4-methyl-5-nitro-pyridine 1-oxide
- UPOSBORDHOMNNA-UHFFFAOYSA-N
- 2-Chloro-4-methyl-5-nitropyridine-1-oxide
- CID 86664886
- Pyridine, 2-chloro-4-methyl-5-nitro-, 1-oxide
- 2-Chloro-4-methyl-5-nitropyridine 1-oxide
-
- Inchi： 1S/C6H5ClN2O3/c1-4-2-6(7)8(10)3-5(4)9(11)12/h2-3H,1H3
- InChI Key： UPOSBORDHOMNNA-UHFFFAOYSA-N
- SMILES： ClC1=CC(C)=C(C=[N+]1[O-])[N+](=O)[O-]
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 184
- Topological Polar Surface Area: 71.3
Experimental Properties
- Density: 1.53±0.1 g/cm3(Predicted)
- Boiling Point: 414.3±40.0 °C(Predicted)
- pka: -1.78±0.10(Predicted)
Pyridine, 2-chloro-4-methyl-5-nitro-, 1-oxide Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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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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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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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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