Cas no 2338-24-1 (1H-Benzimidazole,5,6-dinitro-2-(trifluoromethyl)-)
2338-24-1 structure
Product Name:1H-Benzimidazole,5,6-dinitro-2-(trifluoromethyl)-
CAS No:2338-24-1
MF:C8H3F3N4O4
MW:276.129031419754
CID:261775
PubChem ID:16858
Update Time:2025-04-19
1H-Benzimidazole,5,6-dinitro-2-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,5,6-dinitro-2-(trifluoromethyl)-
- 5,6-dinitro-2-(trifluoromethyl)-1H-benzimidazole
- CHEMBL226920
- BRN 0625375
- 5-23-06-00374 (Beilstein Handbook Reference)
- DTXSID50177933
- OOJCWFWANPATNU-UHFFFAOYSA-N
- BENZIMIDAZOLE, 5,6-DINITRO-2-(TRIFLUOROMETHYL)-
- 5,6-Dinitro-2-(trifluoromethyl)benzimidazole
- 2338-24-1
-
- Inchi: 1S/C8H3F3N4O4/c9-8(10,11)7-12-3-1-5(14(16)17)6(15(18)19)2-4(3)13-7/h1-2H,(H,12,13)
- InChI Key: OOJCWFWANPATNU-UHFFFAOYSA-N
- SMILES: FC(C1=NC2C=C(C(=CC=2N1)[N+](=O)[O-])[N+](=O)[O-])(F)F
Computed Properties
- Exact Mass: 276.01069
- Monoisotopic Mass: 276.010639
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 393
- 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: 2.4
- Topological Polar Surface Area: 120
Experimental Properties
- Density: 1.813
- Boiling Point: 472.9°Cat760mmHg
- Flash Point: 239.8°C
- Refractive Index: 1.637
- PSA: 114.96
1H-Benzimidazole,5,6-dinitro-2-(trifluoromethyl)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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