Cas no 99758-45-9 (Benzene, 1-(1,1-dimethylethyl)-5-methyl-2,4-dinitro-)
99758-45-9 structure
Product Name:Benzene, 1-(1,1-dimethylethyl)-5-methyl-2,4-dinitro-
CAS No:99758-45-9
MF:C11H14N2O4
MW:238.239862918854
CID:750107
PubChem ID:53364573
Update Time:2025-04-19
Benzene, 1-(1,1-dimethylethyl)-5-methyl-2,4-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(1,1-dimethylethyl)-5-methyl-2,4-dinitro-
- 1-(tert-butyl)-5-methyl-2,4-dinitrobenzene
- 1-tert-butyl-5-methyl-2,4-dinitrobenzene
- FT-0752431
- SCHEMBL1465151
- DTXSID50693648
- NESMIGSDQPNPEV-UHFFFAOYSA-N
- 99758-45-9
- AE-562/43460365
-
- Inchi： 1S/C11H14N2O4/c1-7-5-8(11(2,3)4)10(13(16)17)6-9(7)12(14)15/h5-6H,1-4H3
- InChI Key： NESMIGSDQPNPEV-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C(C)=CC=1C(C)(C)C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 238.09535693g/mol
- Monoisotopic Mass: 238.09535693g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 313
- 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: 3.6
- Topological Polar Surface Area: 91.6?2
Benzene, 1-(1,1-dimethylethyl)-5-methyl-2,4-dinitro- Related Literature
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
99758-45-9 (Benzene, 1-(1,1-dimethylethyl)-5-methyl-2,4-dinitro-) Related Products
- 1817-75-0(Benzene,1-nitro-2-[(4-nitrophenyl)methyl]-)
- 3463-35-2(2,5-Di-tert-butylnitrobenzene)
- 1204-29-1(1-Ethyl-2,4-dinitrobenzene)
- 6526-72-3(2-Nitrocumene)
- 20191-74-6(2-Ethyl-5-nitrobenzenamine)
- 1886-57-3(1-tert-Butyl-2-nitrobenzene)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
Recommended suppliers
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
鉅瀾化工科技(青島)有限公司
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
