Cas no 84604-84-2 (4,5-Dibromo-2-(4-nitrophenoxy)phenol)
84604-84-2 structure
Product Name:4,5-Dibromo-2-(4-nitrophenoxy)phenol
CAS No:84604-84-2
MF:C12H7Br2NO4
MW:388.996281862259
CID:731699
PubChem ID:3020003
Update Time:2025-04-19
4,5-Dibromo-2-(4-nitrophenoxy)phenol Chemical and Physical Properties
Names and Identifiers
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- 4,5-Dibromo-2-(4-nitrophenoxy)phenol
- NS00038578
- 84604-84-2
- DTXSID10233600
- EINECS 283-368-7
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- Inchi： 1S/C12H7Br2NO4/c13-9-5-11(16)12(6-10(9)14)19-8-3-1-7(2-4-8)15(17)18/h1-6,16H
- InChI Key： SOCIRCCLOXVPNG-UHFFFAOYSA-N
- SMILES： BrC1C(=CC(=C(C=1)OC1C=CC(=CC=1)[N+](=O)[O-])O)Br
Computed Properties
- Exact Mass: 388.872136
- Monoisotopic Mass: 386.874183
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 317
- 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
- Topological Polar Surface Area: 75.3
- XLogP3: 4.3
Experimental Properties
- Density: 1.919
- Boiling Point: 420.6°C at 760 mmHg
- Flash Point: 208.2°C
- Refractive Index: 1.679
4,5-Dibromo-2-(4-nitrophenoxy)phenol Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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