Cas no 5877-60-1 (1-bromo-2,4,5-trimethyl-3,6-dinitrobenzene)
5877-60-1 structure
Product Name:1-bromo-2,4,5-trimethyl-3,6-dinitrobenzene
CAS No:5877-60-1
MF:C9H9BrN2O4
MW:289.082761526108
CID:949010
PubChem ID:292647
Update Time:2025-04-19
1-bromo-2,4,5-trimethyl-3,6-dinitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-bromo-2,4,5-trimethyl-3,6-dinitrobenzene
- 1-Brom-2,4,5-trimethyl-3,6-dinitro-benzol
- 1-bromo-2,4,5-trimethyl-3,6-dinitro-benzene
- 5-Brom-3,6-dinitro-pseudocumol
- AC1L6IG6
- AC1Q25F6
- AG-K-97911
- AR-1H8275
- Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro-
- Benzene,4,5-trimethyl-3,6-dinitro-
- CTK1H2288
- NSC158557
- 5-Brom-3,6-dinitropseudocumol
- DTXSID40303486
- 5877-60-1
- NSC-158557
- 5-BROMO-3,6-DINITROPSEUDOCUMENE
- AKOS024333816
-
- Inchi： 1S/C9H9BrN2O4/c1-4-5(2)9(12(15)16)7(10)6(3)8(4)11(13)14/h1-3H3
- InChI Key： ZMHKCOHMNLOBFO-UHFFFAOYSA-N
- SMILES： BrC1=C(C(C)=C(C)C(=C1C)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 287.97457
- Monoisotopic Mass: 287.975
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 301
- 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: 3.4
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- Density: 1.622
- Boiling Point: 357.2°C at 760 mmHg
- Flash Point: 169.9°C
- Refractive Index: 1.606
- PSA: 86.28
- LogP: 4.23710
1-bromo-2,4,5-trimethyl-3,6-dinitrobenzene Related Literature
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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