Cas no 56140-47-7 (Benzene, 2-(1,1-dimethylethyl)-1,3,5-trinitro-)
56140-47-7 structure
Product Name:Benzene, 2-(1,1-dimethylethyl)-1,3,5-trinitro-
CAS No:56140-47-7
MF:C10H11N3O6
MW:269.210842370987
CID:349691
PubChem ID:17833101
Update Time:2025-04-19
Benzene, 2-(1,1-dimethylethyl)-1,3,5-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-(1,1-dimethylethyl)-1,3,5-trinitro-
- 2-tert-butyl-1,3,5-trinitrobenzene
- DTXSID30591178
- SCHEMBL4926322
- 56140-47-7
-
- Inchi： 1S/C10H11N3O6/c1-10(2,3)9-7(12(16)17)4-6(11(14)15)5-8(9)13(18)19/h4-5H,1-3H3
- InChI Key： YGVVDCMQPYJUJN-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=C(C=1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 269.06483
- Monoisotopic Mass: 269.06478508g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 364
- 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: 2.9
- Topological Polar Surface Area: 138?2
Experimental Properties
- PSA: 129.42
Benzene, 2-(1,1-dimethylethyl)-1,3,5-trinitro- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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