Cas no 13985-56-3 (Benzene, 2-ethyl-1,3-dinitro-)
Benzene, 2-ethyl-1,3-dinitro- structure
Product Name:Benzene, 2-ethyl-1,3-dinitro-
CAS No:13985-56-3
MF:C8H8N2O4
MW:196.160121917725
CID:232277
PubChem ID:84131
Update Time:2025-04-19
Benzene, 2-ethyl-1,3-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-ethyl-1,3-dinitro-
- 2-Ethyl-1,3-dinitrobenzene
- Einecs 237-777-2
- 1-Ethyl-2,6-dinitrobenzene
- R7KU3U5TSZ
- 13985-56-3
- ethyl 1,3-dinitrobenzene
- NS00024521
- SCHEMBL8361517
- 2,6-DINITROETHYLBENZENE
- DTXSID30161178
- UNII-R7KU3U5TSZ
-
- Inchi： 1S/C8H8N2O4/c1-2-6-7(9(11)12)4-3-5-8(6)10(13)14/h3-5H,2H2,1H3
- InChI Key： SWASTJCUMFALOW-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC=C(C=1CC)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 196.04844
- Monoisotopic Mass: 196.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 211
- 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: 2.5
- Topological Polar Surface Area: 91.6A^2
Experimental Properties
- Density: 1.344
- Boiling Point: 278.8°Cat760mmHg
- Flash Point: 124°C
- Refractive Index: 1.584
- PSA: 86.28
Benzene, 2-ethyl-1,3-dinitro- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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