Cas no 3584-84-7 (1H-Benzimidazole, 5-nitro-2-(trichloromethyl)-)
3584-84-7 structure
Product Name:1H-Benzimidazole, 5-nitro-2-(trichloromethyl)-
CAS No:3584-84-7
MF:C8H4Cl3N3O2
MW:280.495258331299
CID:1472579
PubChem ID:4150545
Update Time:2025-04-20
1H-Benzimidazole, 5-nitro-2-(trichloromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole, 5-nitro-2-(trichloromethyl)-
- 6-nitro-2-(trichloromethyl)-1H-benzimidazole
- AKOS004903393
- 6-NITRO-2-TRICHLOROMETHYL-1H-BENZOIMIDAZOLE
- WS-00930
- NBBNANCVRJOGDU-UHFFFAOYSA-N
- DTXSID90399955
- MFCD30011924
- SCHEMBL18537878
- 3584-84-7
- 5-NITRO-2-(TRICHLOROMETHYL)-1H-BENZIMIDAZOLE
- E71183
- 5-NITRO-2-(TRICHLOROMETHYL)-1H-1,3-BENZODIAZOLE
- 5-nitro-2-(trichloromethyl)-benzoimidazole
- SCHEMBL16138051
-
- Inchi： 1S/C8H4Cl3N3O2/c9-8(10,11)7-12-5-2-1-4(14(15)16)3-6(5)13-7/h1-3H,(H,12,13)
- InChI Key： NBBNANCVRJOGDU-UHFFFAOYSA-N
- SMILES： ClC(C1=NC2C=CC(=CC=2N1)[N+](=O)[O-])(Cl)Cl
Computed Properties
- Exact Mass: 278.93712
- Monoisotopic Mass: 278.936909g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 291
- 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: 3.4
- Topological Polar Surface Area: 74.5?2
Experimental Properties
- PSA: 71.82
1H-Benzimidazole, 5-nitro-2-(trichloromethyl)- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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