Cas no 1008-49-7 (1H-Imidazole-1-acetonitrile,2-methyl-5-nitro-)
1008-49-7 structure
Product Name:1H-Imidazole-1-acetonitrile,2-methyl-5-nitro-
1H-Imidazole-1-acetonitrile,2-methyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-1-acetonitrile,2-methyl-5-nitro-
- 2-(2-methyl-5-nitroimidazol-1-yl)acetonitrile
- 2-Methyl-5-nitro-1H-imidazole-1-acetonitrile
- (2-methyl-5-nitro-imidazol-1-yl)-acetonitrile
- 1-(Cyanomethyl)-2-methyl-5-nitroimidazole
- AC1L2E8Z
- BRN 0612250
- Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro-
- LS-78343
- Oprea1_370254
- 1008-49-7
- DTXSID30143515
-
- Inchi： 1S/C6H6N4O2/c1-5-8-4-6(10(11)12)9(5)3-2-7/h4H,3H2,1H3
- InChI Key： IYTZFCYXBYJPPR-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CN=C(C)N1CC#N)=O
Computed Properties
- Exact Mass: 166.04918
- Monoisotopic Mass: 166.049
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 227
- 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: 0.2
- Topological Polar Surface Area: 87.4A^2
Experimental Properties
- Density: 1.41
- Boiling Point: 416°Cat760mmHg
- Flash Point: 205.4°C
- Refractive Index: 1.635
- PSA: 84.75
- LogP: 1.14648
1H-Imidazole-1-acetonitrile,2-methyl-5-nitro- Related Literature
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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