Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Hydroxy-6-trifluoromethylpyridine |
EINECS | 803-542-3 |
CAS No. | 34486-06-1 | Density | 1.398 g/cm3 |
PSA | 32.86000 | LogP | 1.39370 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H4F3NO | Boiling Point | 223.749 °C at 760 mmHg |
Molecular Weight | 163.099 | Flash Point | 89.12 °C |
Transport Information | N/A | Appearance | White powder |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | T, Xi | |
Synonyms |
2(1H)-Pyridone,6-(trifluoromethyl)- (8CI);2-Hydroxy-6-(trifluoromethyl)pyridine;6-(Trifluoromethyl)-2-pyridinol;6-(Trifluoromethyl)-2-pyridone; |
Article Data | 12 |
The systematic name of 2-Hydroxy-6-trifluoromethylpyridine is 6-(trifluoromethyl)pyridin-2(1H)-one. With the CAS registry number 34486-06-1, it is also named as 6-(Trifluoromethyl)-2(1H)-pyridinone. The product's category is Fluoride. In addition, its molecular formula is C6H4F3NO and molecular weight is 163.10.
The other characteristics of 2-Hydroxy-6-trifluoromethylpyridine can be summarized as: (1)ACD/LogP: 0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14; (8)ACD/KOC (pH 7.4): 11; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 30.528 cm3; (15)Molar Volume: 116.633 cm3; (16)Polarizability: 12.102×10-24cm3; (17)Surface Tension: 28.423 dyne/cm; (18)Density: 1.398 g/cm3; (19)Flash Point: 89.12 °C; (20)Enthalpy of Vaporization: 46.024 kJ/mol; (21)Boiling Point: 223.749 °C at 760 mmHg; (22)Vapour Pressure: 0.095 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)C\1=C\C=C/C(=O)N/1
(2)InChI: InChI=1/C6H4F3NO/c7-6(8,9)4-2-1-3-5(11)10-4/h1-3H,(H,10,11)
(3)InChIKey: XXRUAAOADAPPII-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H4F3NO/c7-6(8,9)4-2-1-3-5(11)10-4/h1-3H,(H,10,11)
(5)Std. InChIKey: XXRUAAOADAPPII-UHFFFAOYSA-N