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CAS No.: | 304693-66-1 |
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Name: | 2-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBALDEHYDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H3F3N2O |
Molecular Weight: | 176.098 |
Synonyms: | 2-Trifluoromethyl-5-formylpyrimidine;2-Trifluoromethyl-5-pyrimidinecarboxaldehyde; |
Density: | 1.455 g/cm3 |
Boiling Point: | 153.259 °C at 760 mmHg |
Flash Point: | 46.49 °C |
PSA: | 42.85000 |
LogP: | 1.30790 |
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The CAS registry number of 5-Pyrimidinecarboxaldehyde,2-(trifluoromethyl)- is 304693-66-1. This chemical is also known as 2-(Trifluoromethyl)-5-pyrimidinecarboxaldehyde. The molecular formula of it is C6H3F3N2O and molecular weight is 176.0960296. Its systematic name and IUPAC name are the same which is called 2-(trifluoromethyl)pyrimidine-5-carbaldehyde.
Physical properties about this chemical are: (1)ACD/LogP: 0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28; (8)ACD/KOC (pH 7.4): 28; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.476; (13)Molar Refractivity: 34.168 cm3; (14)Molar Volume: 121.057 cm3; (15)Surface Tension: 36.638 dyne/cm; (16)Density: 1.455 g/cm3; (17)Flash Point: 46.49 °C; (18)Enthalpy of Vaporization: 39.006 kJ/mol; (19)Boiling Point: 153.259 °C at 760 mmHg; (20)Vapour Pressure: 3.361 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ncc(C=O)cn1
(2)InChI: InChI=1/C6H3F3N2O/c7-6(8,9)5-10-1-4(3-12)2-11-5/h1-3H
(3)InChIKey: GAUDQBASERVUGM-UHFFFAOYAH