Cas no 4185-53-9 (Benzene, 2-bromo-1,3,5-trinitro-)
4185-53-9 structure
Product Name:Benzene, 2-bromo-1,3,5-trinitro-
CAS No:4185-53-9
MF:C6H2BrN3O6
MW:292.000580310822
CID:324313
PubChem ID:533896
Update Time:2025-04-19
Benzene, 2-bromo-1,3,5-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-bromo-1,3,5-trinitro-
- 2-bromo-1,3,5-trinitrobenzene
- 4185-53-9
- 2-Bromo-1,3,5-trinitrobenzene #
- 2-Brom-1,3,5-trinitrobenzol (1. Form)
- picryl bromide
- DTXSID40336456
- WJAMDVPZHYCFJH-UHFFFAOYSA-N
- AKOS030222508
- SCHEMBL2085076
-
- Inchi: 1S/C6H2BrN3O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H
- InChI Key: WJAMDVPZHYCFJH-UHFFFAOYSA-N
- SMILES: BrC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 290.91266
- Monoisotopic Mass: 290.91270g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 296
- 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: 1.4
- Topological Polar Surface Area: 138?2
Experimental Properties
- PSA: 129.42
Benzene, 2-bromo-1,3,5-trinitro- Related Literature
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1. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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