Cas no 26616-30-8 (Benzenediamine,ar,ar,ar-trinitro-)
26616-30-8 structure
Product Name:Benzenediamine,ar,ar,ar-trinitro-
CAS No:26616-30-8
MF:C6H5N5O6
MW:243.133800268173
CID:255732
PubChem ID:5743411
Update Time:2025-04-19
Benzenediamine,ar,ar,ar-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenediamine,ar,ar,ar-trinitro-
- 3,4,5-trinitrobenzene-1,2-diamine
- DIAMINOTRINITROBENZENE
- 26616-30-8
- SCHEMBL1232164
- NS00051804
- DTXSID50949450
-
- Inchi： 1S/C6H5N5O6/c7-2-1-3(9(12)13)5(10(14)15)6(4(2)8)11(16)17/h1H,7-8H2
- InChI Key： DWSHPNQTKZNJFW-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(=C(C=C(C=1[N+](=O)[O-])[N+](=O)[O-])N)N)=O
Computed Properties
- Exact Mass: 243.02405
- Monoisotopic Mass: 243.023983
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 344
- 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: 190
- XLogP3: 0.6
Experimental Properties
- Density: 1.877
- Boiling Point: 638.7°Cat760mmHg
- Flash Point: 340°C
- Refractive Index: 1.78
- PSA: 181.46
Benzenediamine,ar,ar,ar-trinitro- Related Literature
-
Olivier Siri,Pierre Braunstein New J. Chem. 2005 29 75
-
2. Aspects of conformation in ring-substituted 2,4,6-trinitroanilines deduced from absorption spectraMortimer J. Kamlet,Richard R. Minesinger,John C. Hoffsommer,Joseph C. Dacons,Horst G. Adolph J. Chem. Soc. B 1968 1147
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3. Reaction of 1,3,5-trifluorotrinitrobenze with nucleophilesWilliam M. Koppes,G. William Lawrence,Michael E. Sitzmann,Horst G. Adolph J. Chem. Soc. Perkin Trans. 1 1981 1815
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H. J. Scullion,J. E. C. Harris Proc. Soc. Anal. Chem. 1971 8 60
26616-30-8 (Benzenediamine,ar,ar,ar-trinitro-) Related Products
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