Cas no 37841-25-1 (Benzonitrile, 2,4,6-trinitro-)
Benzonitrile, 2,4,6-trinitro- structure
Product Name:Benzonitrile, 2,4,6-trinitro-
CAS No:37841-25-1
MF:C7H2N4O6
MW:238.113980770111
CID:292333
PubChem ID:4912814
Update Time:2025-04-19
Benzonitrile, 2,4,6-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 2,4,6-trinitro-
- 2,4,6-trinitrobenzonitrile
- AKOS005599652
- 2,4,6-trinitro-benzonitrile
- DTXSID40406724
- 37841-25-1
-
- Inchi： 1S/C7H2N4O6/c8-3-5-6(10(14)15)1-4(9(12)13)2-7(5)11(16)17/h1-2H
- InChI Key： XBQUNNGYNBKOCN-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=C(C=1C#N)[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 237.99746
- Monoisotopic Mass: 237.99743380g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- 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
- XLogP3: 0.4
- Topological Polar Surface Area: 161?2
Experimental Properties
- PSA: 153.21
Benzonitrile, 2,4,6-trinitro- Related Literature
-
Hugo Cruz,Iluminada Gallardo,Gonzalo Guirado Green Chem. 2011 13 2531
-
Igor L. Dalinger,Tatiana I. Cherkasova,Valerian M. Khutoretskii,Svyatoslav A. Shevelev Mendeleev Commun. 2000 10 72
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3. Radical adamantyldenitration in polynitrobenzenes. Selectivity of homolytic aromatic ipso substitutionLorenzo Testaferri,Marcello Tiecco,Marco Tingoli J. Chem. Soc. Perkin Trans. 2 1979 469
37841-25-1 (Benzonitrile, 2,4,6-trinitro-) Related Products
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- 87376-25-8(2-Amino-4-nitrobenzonitrile)
- 17420-30-3(2-amino-5-nitro-benzonitrile)
- 939-79-7(2-Nitro-p-toluonitrile)
- 612-24-8(2-Nitrobenzonitrile)
- 35213-00-4(2,6-Dinitrobenzonitrile)
- 20033-48-1(1,3-Benzenedicarbonitrile, 2-amino-5-nitro-)
- 63365-23-1(2-Amino-6-nitrobenzonitrile)
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