Cas no 31208-76-1 (1H-Indazole,5,7-dinitro-)
1H-Indazole,5,7-dinitro- structure
Product Name:1H-Indazole,5,7-dinitro-
CAS No:31208-76-1
MF:C7H4N4O4
MW:208.131060600281
CID:312764
PubChem ID:3084527
Update Time:2025-04-19
1H-Indazole,5,7-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole,5,7-dinitro-
- 5,7-Dinitro(1H)indazole
- 5,7-dinitroindazole
- 31208-76-1
- 5,7-dinitro-5H-indazole
- 1H-Indazole, 5,7-dinitro-
-
- Inchi： 1S/C7H4N4O4/c12-10(13)5-1-4-3-8-9-7(4)6(2-5)11(14)15/h1-3,5H
- InChI Key： HXLLQLZHBAIIRN-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C2C(C=NN=2)=C1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 208.02332
- Monoisotopic Mass: 208.023255
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 462
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 116
- XLogP3: 0.5
Experimental Properties
- Density: 1.752
- Boiling Point: 455.3°C at 760 mmHg
- Flash Point: 229.1°C
- Refractive Index: 1.777
- PSA: 114.96
1H-Indazole,5,7-dinitro- Related Literature
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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