Cas no 1092-55-3 (Benzene,1,1'-methylenebis[4-bromo-2-nitro-)
1092-55-3 structure
Product Name:Benzene,1,1'-methylenebis[4-bromo-2-nitro-
CAS No:1092-55-3
MF:C13H8Br2N2O4
MW:416.021621704102
CID:233906
PubChem ID:254010
Update Time:2025-04-19
Benzene,1,1'-methylenebis[4-bromo-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 4-bromo-1-[(4-bromo-2-nitrophenyl)methyl]-2-nitrobenzene
- 4,4'-Dibrom-2,2'-dinitrodiphenylmethan
- 4,4'-dibromo-2,2'-dinitrodiphenylmethane
- NSC77615
- 1092-55-3
- NSC-77615
- 1,1'-methanediylbis(4-bromo-2-nitrobenzene)
- DTXSID80291732
- Benzene,1,1'-methylenebis[4-bromo-2-nitro-
-
- Inchi： 1S/C13H8Br2N2O4/c14-10-3-1-8(12(6-10)16(18)19)5-9-2-4-11(15)7-13(9)17(20)21/h1-4,6-7H,5H2
- InChI Key： DCPDIHIPJHWBOP-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C(C=1)[N+](=O)[O-])CC1C=CC(=CC=1[N+](=O)[O-])Br
Computed Properties
- Exact Mass: 413.88500
- Monoisotopic Mass: 413.88508g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 363
- 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: 4.9
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- PSA: 91.64000
- LogP: 5.66520
Benzene,1,1'-methylenebis[4-bromo-2-nitro- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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