Cas no 567-81-7 (1,1'-Biphenyl,2,2'-difluoro-3,3',5,5'-tetramethyl-4,4',6,6'-tetranitro-)
567-81-7 structure
Product Name:1,1'-Biphenyl,2,2'-difluoro-3,3',5,5'-tetramethyl-4,4',6,6'-tetranitro-
CAS No:567-81-7
MF:C16H12F2N4O8
MW:426.285290718079
CID:380023
PubChem ID:292971
Update Time:2025-04-19
1,1'-Biphenyl,2,2'-difluoro-3,3',5,5'-tetramethyl-4,4',6,6'-tetranitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl,2,2'-difluoro-3,3',5,5'-tetramethyl-4,4',6,6'-tetranitro-
- 1-fluoro-2-(2-fluoro-3,5-dimethyl-4,6-dinitrophenyl)-4,6-dimethyl-3,5-dinitrobenzene
- 2,2'-Difluor-3,5,3',5'-tetramethyl-4,6,4',6'-tetranitro-biphenyl
- 2,2'-difluoro-3,3',5,5'-tetramethyl-4,4',6,6'-tetranitrobiphenyl
- 2,2'-difluoro-3,5,3',5'-tetramethyl-4,6,4',6'-tetranitro-biphenyl
- AC1L6J5I
- AC1Q4N44
- AG-J-70881
- AR-1D1396
- CTK5A5700
- NSC159246
- DTXSID10303594
- NSC-159246
- 567-81-7
-
- Inchi: 1S/C16H12F2N4O8/c1-5-11(17)9(15(21(27)28)7(3)13(5)19(23)24)10-12(18)6(2)14(20(25)26)8(4)16(10)22(29)30/h1-4H3
- InChI Key: MYODFJUODZLJDM-UHFFFAOYSA-N
- SMILES: FC1=C(C)C(=C(C)C(=C1C1C(=C(C)C(=C(C)C=1[N+](=O)[O-])[N+](=O)[O-])F)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 426.06236
- Monoisotopic Mass: 426.062
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 30
- Rotatable Bond Count: 1
- Complexity: 660
- 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: 4.5
- Topological Polar Surface Area: 183?2
Experimental Properties
- Density: 1.546
- Boiling Point: 478.5°C at 760 mmHg
- Flash Point: 243.2°C
- Refractive Index: 1.616
- PSA: 172.56
- LogP: 6.59100
1,1'-Biphenyl,2,2'-difluoro-3,3',5,5'-tetramethyl-4,4',6,6'-tetranitro- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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