Specification: |
The 2(1H)-Pyridinone,4-(trifluoromethyl)-, with the cas registry number 50650-59-4, has the systematic name of 4-(trifluoromethyl)pyridin-2(1H)-one. And its products categories are including Pyridine; Pyridines; Heterocycle; Pyridine series; C6; Heterocyclic Building Blocks
The physical properties of this chemical are as follows: (1)ACD/LogP: -0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): -0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.96; (8)ACD/KOC (pH 7.4): 18.96; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31; (13)Index of Refraction: 1.436; (14)Molar Refractivity: 30.52 cm3; (15)Molar Volume: 116.6 cm3; (16)Polarizability: 12.1× 10-24 cm3; (17)Surface Tension: 28.4 dyne/cm; (18)Density: 1.398 g/cm3; (19)Flash Point: 87.6 °C; (20)Enthalpy of Vaporization: 45.77 kJ/mol; (21)Boiling Point: 221.2 °C at 760 mmHg; (22)Vapour Pressure: 0.108 mmHg at 25°C.
When you are dealing with this chemical, you shoule be cautious and then take some measures to protect yourself. For being a kind of irritant chemical, it may cause inflammation to the skin or other mucous membranes, and it is irritating to eyes and respiratory system. Then it may has risk of serious damage to eyes. Besides, it is harmful which may cause damage to health. If swallowed, it will be dangerous. Therefore, you should wear suitable protective clothing, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. You could also refer to WGK Germany 3 to get more safety information.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:FC(F)(F)C=1\C=C/NC(=O)C=1
(2)InChI:InChI=1/C6H4F3NO/c7-6(8,9)4-1-2-10-5(11)3-4/h1-3H,(H,10,11)
(3)InChIKey:IKHLLNMSMFVTLP-UHFFFAOYAE
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