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CAS No.: | 2344-17-4 |
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Name: | NSC56143 |
Article Data: | 3 |
Molecular Structure: | |
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Formula: | C5H2Cl2F3N3 |
Molecular Weight: | 231.99 |
Synonyms: | Pyrimidine,5-amino-4,6-dichloro-2-(trifluoromethyl)- (7CI,8CI);NSC 56143; |
Density: | 1.711 g/cm3 |
Boiling Point: | 201.6 °C at 760 mmHg |
Flash Point: | 75.7 °C |
PSA: | 51.80000 |
LogP: | 2.96560 |
The 5-Pyrimidinamine,4,6-dichloro-2-(trifluoromethyl)- is an organic compound with the formula C5H2Cl2F3N3. The IUPAC name of this chemical is 4,6-dichloro-2-(trifluoromethyl)pyrimidin-5-amine. With the CAS registry number 2344-17-4, it is also named as 4,6-Dichloro-2-trifluoromethyl-pyrimidin-5-ylamine.
Physical properties about 5-Pyrimidinamine,4,6-dichloro-2-(trifluoromethyl)- are: (1)ACD/LogP: 1.39 ; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 29.02 Å2; (6)Index of Refraction: 1.523; (7)Molar Refractivity: 41.44 cm3; (8)Molar Volume: 135.5 cm3; (9)Polarizability: 16.42×10-24cm3; (10)Surface Tension: 44.5 dyne/cm; (11)Density: 1.711 g/cm3; (12)Flash Point: 75.7 °C; (13)Enthalpy of Vaporization: 43.78 kJ/mol; (14)Boiling Point: 201.6 °C at 760 mmHg; (15)Vapour Pressure: 0.306 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(nc(Cl)c1N)C(F)(F)F
(2)InChI: InChI=1/C5H2Cl2F3N3/c6-2-1(11)3(7)13-4(12-2)5(8,9)10/h11H2
(3)InChIKey: SCCIDUDZOMNNFU-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C5H2Cl2F3N3/c6-2-1(11)3(7)13-4(12-2)5(8,9)10/h11H2
(5)Std. InChIKey: SCCIDUDZOMNNFU-UHFFFAOYSA-N