Cas no 2364-42-3 (1,1'-Biphenyl,3,3',4,4'-tetranitro-)
2364-42-3 structure
Product Name:1,1'-Biphenyl,3,3',4,4'-tetranitro-
CAS No:2364-42-3
MF:C12H6N4O8
MW:334.198042392731
CID:257045
PubChem ID:16901
Update Time:2025-04-19
1,1'-Biphenyl,3,3',4,4'-tetranitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl,3,3',4,4'-tetranitro-
- 4-(3,4-dinitrophenyl)-1,2-dinitrobenzene
- 3,4,3',4'-Tetranitro-biphenyl
- SCHEMBL3976788
- DTXSID60178310
- BRN 2547291
- 2364-42-3
- CHEMBL353670
- 3,4,3',4'-Tetranitrobiphenyl
- 1,1'-BIPHENYL, 3,3',4,4'-TETRANITRO-
-
- Inchi： 1S/C12H6N4O8/c17-13(18)9-3-1-7(5-11(9)15(21)22)8-2-4-10(14(19)20)12(6-8)16(23)24/h1-6H
- InChI Key： UNKCJDGKXMGEEF-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=C(C=CC(=C1)C1C=CC(=C(C=1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 334.01858
- Monoisotopic Mass: 334.019
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 24
- Rotatable Bond Count: 1
- Complexity: 485
- 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: 183A^2
- XLogP3: 2.9
Experimental Properties
- Density: 1.653
- Boiling Point: 586.8°C at 760 mmHg
- Flash Point: 302.6°C
- Refractive Index: 1.687
- PSA: 172.56
1,1'-Biphenyl,3,3',4,4'-tetranitro- Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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