Cas no 95192-60-2 (Benzoic acid,2-bromo-4,6-dinitro-)
95192-60-2 structure
Product Name:Benzoic acid,2-bromo-4,6-dinitro-
CAS No:95192-60-2
MF:C7H3BrN2O6
MW:291.012521028519
CID:799254
PubChem ID:2762951
Update Time:2025-04-19
Benzoic acid,2-bromo-4,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-bromo-4,6-dinitro-
- 2-BROMO-4,6-DINITROBENZOIC ACID
- 2-Brom-4,6-dinitro-benzoesaeure
- 2-bromo-4,6-dinitro-benzoic acid
- FT-0748479
- 95192-60-2
- DTXSID70376603
-
- Inchi： 1S/C7H3BrN2O6/c8-4-1-3(9(13)14)2-5(10(15)16)6(4)7(11)12/h1-2H,(H,11,12)
- InChI Key： QFPZAEXSGILFAI-UHFFFAOYSA-N
- SMILES： BrC1=CC(=CC(=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 289.91700
- Monoisotopic Mass: 289.917
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 324
- 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: 1.8
- Topological Polar Surface Area: 129?2
Experimental Properties
- Density: 2.051
- Boiling Point: 419°Cat760mmHg
- Flash Point: 207.2°C
- Refractive Index: 1.685
- PSA: 128.94000
- LogP: 3.01010
Benzoic acid,2-bromo-4,6-dinitro- Related Literature
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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