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| CAS No.: | 69034-08-8 |
|---|---|
| Name: | 2-Pyrimidinamine, 5-(trifluoromethyl)- (9CI) |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C5H4F3N3 |
| Molecular Weight: | 163.102 |
| Synonyms: | 2-Pyrimidinamine, 5-(trifluoromethyl)- (9CI);5-Trifluoromethyl-pyrimidin-2-ylamine;5-Trifluoromethyl-2-pyrimidinamine;2-PyriMidinaMine, 5-(trifluoroMethyl)-;5-(TrifluoroMethyl)pyriMidin-2-aMine |
| Density: | 1.46 g/cm3 |
| Boiling Point: | 260.7 °C at 760 mmHg |
| Flash Point: | 111.5 °C |
| PSA: | 51.80000 |
| LogP: | 1.65880 |
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- Total:27 Page 1 of 1 1
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Specification
The 2-Pyrimidinamine, 5-(trifluoromethyl)- (9CI) is an organic compound with the formula C5H4F3N3. The systematic name of this chemical is 5-(Trifluoromethyl)pyrimidin-2-amine. With the CAS registry number 69034-08-8, it is also named as 5-Trifluoromethylpyrimidin-2-ylamine. The category of the product is Pyrimidine. Besides, its molecular weight is 163.1005696.
The physical properties of 2-Pyrimidinamine, 5-(trifluoromethyl)- (9CI) are: (1)ACD/LogP: 0.75; (2)ACD/LogD (pH 5.5): 0.75; (3)ACD/LogD (pH 7.4): 0.75; (4)ACD/BCF (pH 5.5): 2.19; (5)ACD/BCF (pH 7.4): 2.19; (6)ACD/KOC (pH 5.5): 61.07; (7)ACD/KOC (pH 7.4): 61.08; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 51.8 Å2; (11)Index of Refraction: 1.478; (12)Molar Refractivity: 31.65 cm3; (13)Molar Volume: 111.6 cm3; (14)Polarizability: 12.54×10-24 cm3; (15)Surface Tension: 38.7 dyne/cm; (16)Density: 1.46 g/cm3; (17)Flash Point: 111.5 °C; (18)Enthalpy of Vaporization: 49.84 kJ/mol; (19)Boiling Point: 260.7 °C at 760 mmHg; (20)Vapour Pressure: 0.012 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cnc(N)nc1
(2)InChI: InChI=1/C5H4F3N3/c6-5(7,8)3-1-10-4(9)11-2-3/h1-2H,(H2,9,10,11)
(3)InChIKey: OUVVCECMELPNNT-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C5H4F3N3/c6-5(7,8)3-1-10-4(9)11-2-3/h1-2H,(H2,9,10,11)
(5)Std. InChIKey: OUVVCECMELPNNT-UHFFFAOYSA-N