Cas no 396658-92-7 (Benzene, 3-(1,1-dimethylethyl)-2,4-dimethyl-1,5-dinitro-)
396658-92-7 structure
Product Name:Benzene, 3-(1,1-dimethylethyl)-2,4-dimethyl-1,5-dinitro-
CAS No:396658-92-7
MF:C12H16N2O4
MW:252.266443252563
CID:1514591
Update Time:2024-08-24
Benzene, 3-(1,1-dimethylethyl)-2,4-dimethyl-1,5-dinitro- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 3-(1,1-dimethylethyl)-2,4-dimethyl-1,5-dinitro-
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- Inchi： 1S/C12H16N2O4/c1-7-9(13(15)16)6-10(14(17)18)8(2)11(7)12(3,4)5/h6H,1-5H3
- InChI Key： IARKSBSXAUOKHP-UHFFFAOYSA-N
- SMILES： C1([N+]([O-])=O)=CC([N+]([O-])=O)=C(C)C(C(C)(C)C)=C1C
Computed Properties
- Exact Mass: 252.11108
Experimental Properties
- Density: 1.187±0.06 g/cm3(Predicted)
- Boiling Point: 328.5±37.0 °C(Predicted)
- PSA: 86.28
Benzene, 3-(1,1-dimethylethyl)-2,4-dimethyl-1,5-dinitro- Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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