Cas no 1232892-80-6 (5-Methyl-3-(4-methyl-3-nitro-phenyl)-1H-pyrazole)
1232892-80-6 structure
Product Name:5-Methyl-3-(4-methyl-3-nitro-phenyl)-1H-pyrazole
CAS No:1232892-80-6
MF:C11H11N3O2
MW:217.223942041397
CID:2107857
Update Time:2023-08-03
5-Methyl-3-(4-methyl-3-nitro-phenyl)-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 5-methyl-3-(4-methyl-3-nitrophenyl)-1H-Pyrazole
- 1H-Pyrazole,5-methyl-3-(4-methyl-3-nitrophenyl)-
- 1H-Pyrazole,3-methyl-5-(4-methyl-3-nitrophenyl)-
- ZZIPACRSBKCUPX-UHFFFAOYSA-N
- 5-methyl-3-(4-methyl-3-nitro-phenyl)-1H-pyrazole
- 1H-Pyrazole, 5-methyl-3-(4-methyl-3-nitrophenyl)-
- 1H-Pyrazole, 3-methyl-5-(4-methyl-3-nitrophenyl)-
- 5-Methyl-3-(4-methyl-3-nitro-phenyl)-1H-pyrazole
-
- Inchi： 1S/C11H11N3O2/c1-7-3-4-9(6-11(7)14(15)16)10-5-8(2)12-13-10/h3-6H,1-2H3,(H,12,13)
- InChI Key： ZZIPACRSBKCUPX-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=CC=1C)C1C=C(C)NN=1)=O
Computed Properties
- Exact Mass: 217.085
- Monoisotopic Mass: 217.085
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 266
- 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
- Topological Polar Surface Area: 74.5
Experimental Properties
- Color/Form: Colorless liquid / white solid
5-Methyl-3-(4-methyl-3-nitro-phenyl)-1H-pyrazole Security Information
- Storage Condition：Keep in a cool, dry, dark place, in a sealed container or cylinder. Keep away from incompatible materials, sources of ignition, and untrained people. Safety label area. Protect container / cylinder from physical injury.
5-Methyl-3-(4-methyl-3-nitro-phenyl)-1H-pyrazole Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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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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