Cas no 1017412-56-4 (4-Methyl-6-(trifluoromethyl)pyrimidine)
1017412-56-4 structure
Product Name:4-Methyl-6-(trifluoromethyl)pyrimidine
CAS No:1017412-56-4
MF:C6H5F3N2
MW:162.112511396408
CID:6628333
PubChem ID:22943718
Update Time:2024-01-16
4-Methyl-6-(trifluoromethyl)pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-methyl-6-(trifluoromethyl)-
- AKOS006237121
- SCHEMBL7704073
- 1017412-56-4
- 4-methyl-6-(trifluoromethyl)pyrimidine
- ZWXIXHAKODDHHY-UHFFFAOYSA-N
- 4-Methyl-6-(trifluoromethyl)pyrimidine
-
- Inchi： 1S/C6H5F3N2/c1-4-2-5(6(7,8)9)11-3-10-4/h2-3H,1H3
- InChI Key： ZWXIXHAKODDHHY-UHFFFAOYSA-N
- SMILES： C1=NC(C(F)(F)F)=CC(C)=N1
Computed Properties
- Exact Mass: 162.04048265g/mol
- Monoisotopic Mass: 162.04048265g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 134
- 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: 1.5
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- Density: 1.290±0.06 g/cm3(Predicted)
- Boiling Point: 158.1±35.0 °C(Predicted)
- pka: -0.32±0.17(Predicted)
4-Methyl-6-(trifluoromethyl)pyrimidine Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
1017412-56-4 (4-Methyl-6-(trifluoromethyl)pyrimidine) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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