Cas no 78925-50-5 (1,3-Benzenediamine, 5-fluoro-2,4,6-trinitro-)
78925-50-5 structure
Product Name:1,3-Benzenediamine, 5-fluoro-2,4,6-trinitro-
CAS No:78925-50-5
MF:C6H4FN5O6
MW:261.124263763428
CID:533677
PubChem ID:5256104
Update Time:2025-04-19
1,3-Benzenediamine, 5-fluoro-2,4,6-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediamine, 5-fluoro-2,4,6-trinitro-
- 5-fluoro-2,4,6-trinitrobenzene-1,3-diamine
- DTXSID40413670
- 78925-50-5
- 5-fluoro-1,3-diamino-2,4,6-trinitrobenzene
- XOHDKVYKLXYIQT-UHFFFAOYSA-N
- SCHEMBL9123371
- 5-fluoro-1,3-diamino-2,4,6trinitrobenzene
-
- Inchi： 1S/C6H4FN5O6/c7-1-4(10(13)14)2(8)6(12(17)18)3(9)5(1)11(15)16/h8-9H2
- InChI Key： XOHDKVYKLXYIQT-UHFFFAOYSA-N
- SMILES： FC1=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])N)[N+](=O)[O-]
Computed Properties
- Exact Mass: 261.01462
- Monoisotopic Mass: 261.01456103g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 348
- 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: 1.2
- Topological Polar Surface Area: 190?2
Experimental Properties
- PSA: 181.46
1,3-Benzenediamine, 5-fluoro-2,4,6-trinitro- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
78925-50-5 (1,3-Benzenediamine, 5-fluoro-2,4,6-trinitro-) Related Products
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