Cas no 14094-45-2 (Quinoline,8-methyl-4-nitro-, 1-oxide)
14094-45-2 structure
Product Name:Quinoline,8-methyl-4-nitro-, 1-oxide
CAS No:14094-45-2
MF:C10H8N2O3
MW:204.18212223053
CID:154291
PubChem ID:84195
Update Time:2025-04-19
Quinoline,8-methyl-4-nitro-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- Quinoline,8-methyl-4-nitro-, 1-oxide
- 8-methyl-4-nitro-1-oxidoquinolin-1-ium
- 8-Methyl-4-nitroquinoline 1-oxide
- BRN 1246201
- CCRIS 1149
- 8-METHYL-4-NITROQUINOLINE-1-OXIDE
- A807932
- 8-methyl-4-nitro-1-oxidanidyl-quinolin-1-ium
- 14094-45-2
- Quinoline, 8-methyl-4-nitro-, 1-oxide
- DTXSID50161498
- CHEMBL3244947
-
- Inchi： 1S/C10H8N2O3/c1-7-3-2-4-8-9(12(14)15)5-6-11(13)10(7)8/h2-6H,1H3
- InChI Key： QWHBQAQVJHCYHB-UHFFFAOYSA-N
- SMILES： [O-][N+]1C=CC(=C2C=CC=C(C)C=12)[N+](=O)[O-]
Computed Properties
- Exact Mass: 204.05354
- Monoisotopic Mass: 204.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 254
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 71.3A^2
Experimental Properties
- Density: 1.3244 (rough estimate)
- Boiling Point: 342.67°C (rough estimate)
- Flash Point: 194.2°C
- Refractive Index: 1.5910 (estimate)
- PSA: 70.08
Quinoline,8-methyl-4-nitro-, 1-oxide Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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