Cas no 1678-50-8 (Pyridine,3,3'-ethylenebis[4-nitro-, 1,1'-dioxide (6CI,7CI,8CI))
1678-50-8 structure
Product Name:Pyridine,3,3'-ethylenebis[4-nitro-, 1,1'-dioxide (6CI,7CI,8CI)
CAS No:1678-50-8
MF:C12H10N4O6
MW:306.23100233078
CID:228225
PubChem ID:3629358
Update Time:2025-04-19
Pyridine,3,3'-ethylenebis[4-nitro-, 1,1'-dioxide (6CI,7CI,8CI) Chemical and Physical Properties
Names and Identifiers
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- 4-nitro-3-[2-(4-nitro-1-oxidopyridin-1-ium-3-yl)ethyl]-1-oxidopyridin-1-ium
- 1,1'-Dioxido-4,4'-dinitro-3,3'-dipicolyl
- 1.2-Bis-< 4-nitro-1-oxy-3-pyridyl> -aethan
- 4,4'-Dinitro-3,3'-aethandiyl-bis-pyridin-1-oxid
- 4,4'-dinitro-3,3'-ethane-1,2-diyl-bis-pyridine 1,1'-dioxide
- 4.4'-Dinitro-1.1'-dioxy-3-3'-dipicolyl
- AC1MTRIV
- NSC405868
- 1678-50-8
- NSC-405868
- DTXSID30394464
- Pyridine,3,3'-ethylenebis[4-nitro-, 1,1'-dioxide (6CI,7CI,8CI)
-
- Inchi: 1S/C12H10N4O6/c17-13-5-3-11(15(19)20)9(7-13)1-2-10-8-14(18)6-4-12(10)16(21)22/h3-8H,1-2H2
- InChI Key: AUAHXZOQOZXEIW-UHFFFAOYSA-N
- SMILES: [O-][N+]1C=CC(=C(C=1)CCC1C=[N+](C=CC=1[N+](=O)[O-])[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 311.09925
- Monoisotopic Mass: 306.060034
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 373
- 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
- Topological Polar Surface Area: 143
- XLogP3: -0.3
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 133.3
- LogP: 3.19160
Pyridine,3,3'-ethylenebis[4-nitro-, 1,1'-dioxide (6CI,7CI,8CI) Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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