Cas no 48213-06-5 (3,3'',5,5''-tetranitrobiphenyl-4,4''-diol)
48213-06-5 structure
Product Name:3,3'',5,5''-tetranitrobiphenyl-4,4''-diol
CAS No:48213-06-5
MF:C12H6N4O10
MW:366.196842670441
CID:931835
PubChem ID:4390292
Update Time:2025-04-19
3,3'',5,5''-tetranitrobiphenyl-4,4''-diol Chemical and Physical Properties
Names and Identifiers
-
- 3,3'',5,5''-tetranitrobiphenyl-4,4''-diol
- 4-(4-hydroxy-3,5-dinitrophenyl)-2,6-dinitrophenol
- 3,5,3',5'-Tetranitro-biphenyl-4,4'-diol
- 3,5,3'',5''-Tetranitro-biphenyl-4,4''-diol
- DTXSID00402762
- NSC98358
- NSC-98358
- CHEMBL176916
- SCHEMBL10885499
- 48213-06-5
- BDBM50056929
- 4-(4-hydroxy-3,5-dinitro-phenyl)-2,6-dinitro-phenol
-
- Inchi： 1S/C12H6N4O10/c17-11-7(13(19)20)1-5(2-8(11)14(21)22)6-3-9(15(23)24)12(18)10(4-6)16(25)26/h1-4,17-18H
- InChI Key： WBMBLPWFXWGOMD-UHFFFAOYSA-N
- SMILES： OC1=C(C=C(C=C1[N+](=O)[O-])C1C=C(C(=C(C=1)[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 366.008
- Monoisotopic Mass: 366.008
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 26
- Rotatable Bond Count: 1
- Complexity: 493
- 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: 224A^2
- XLogP3: 3.3
Experimental Properties
- Density: 1.84
- Boiling Point: 430°C at 760 mmHg
- Flash Point: 176.2°C
- Refractive Index: 1.746
3,3'',5,5''-tetranitrobiphenyl-4,4''-diol Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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