Cas no 89365-48-0 (1,2,4-Tribromo-5-nitrobenzene)
1,2,4-Tribromo-5-nitrobenzene structure
Product Name:1,2,4-Tribromo-5-nitrobenzene
CAS No:89365-48-0
MF:C6H2Br3NO2
MW:359.797579288483
CID:882910
PubChem ID:275511
Update Time:2025-04-19
1,2,4-Tribromo-5-nitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-tribromo-5-nitrobenzene
- SCHEMBL15826052
- NSC122394
- 89365-48-0
- DTXSID40298308
- CS-0437345
- NSC-122394
- 1,2,4-Tribromo-5-nitrobenzene
-
- Inchi： 1S/C6H2Br3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
- InChI Key： SLZKIHPQXANDDF-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=CC=1[N+](=O)[O-])Br)Br
Computed Properties
- Exact Mass: 358.762
- Monoisotopic Mass: 356.764
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 184
- 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: 3.8
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- Density: 2.401
- Boiling Point: 314°C at 760 mmHg
- Flash Point: 143.7°C
- Refractive Index: 1.668
1,2,4-Tribromo-5-nitrobenzene Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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