Cas no 4228-91-5 (1H-Benzimidazole,7-chloro-5-nitro-2-(trifluoromethyl)-)
4228-91-5 structure
Product Name:1H-Benzimidazole,7-chloro-5-nitro-2-(trifluoromethyl)-
CAS No:4228-91-5
MF:C8H3ClF3N3O2
MW:265.576530694962
CID:333702
PubChem ID:20213
Update Time:2025-04-19
1H-Benzimidazole,7-chloro-5-nitro-2-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole,7-chloro-5-nitro-2-(trifluoromethyl)-
- 4-chloro-6-nitro-2-(trifluoromethyl)-1H-benzimidazole
- 4228-91-5
- BRN 0962224
- SCHEMBL8855468
- HNDQGIJHWSTKDW-UHFFFAOYSA-N
- 4-Chloro-6-nitro-2-(trifluoromethyl)benzimidazole
- BENZIMIDAZOLE, 4-CHLORO-6-NITRO-2-(TRIFLUOROMETHYL)-
- DTXSID60195108
-
- Inchi： 1S/C8H3ClF3N3O2/c9-4-1-3(15(16)17)2-5-6(4)14-7(13-5)8(10,11)12/h1-2H,(H,13,14)
- InChI Key： HNDQGIJHWSTKDW-UHFFFAOYSA-N
- SMILES： ClC1=CC(=CC2=C1N=C(C(F)(F)F)N2)[N+](=O)[O-]
Computed Properties
- Exact Mass: 263.97886
- Monoisotopic Mass: 264.987
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 322
- 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: 2.8
- Topological Polar Surface Area: 74.5A^2
Experimental Properties
- Density: 1.742±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 206-208 oC
- Boiling Point: 381.8°Cat760mmHg
- Flash Point: 184.7°C
- Refractive Index: 1.612
- Solubility: Very slightly soluble (0.15 g/l) (25 o C),
- PSA: 68.92
1H-Benzimidazole,7-chloro-5-nitro-2-(trifluoromethyl)- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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