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2-Hydroxy-6-trifluoromethylpyridine

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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 Molecular Structure of 34486-06-1 (2-HYDROXY-6-(TRIFLUOROMETHYL)PYRIDINE) Hazard Symbols ToxicT, IrritantXi
Synonyms

2(1H)-Pyridone,6-(trifluoromethyl)- (8CI);2-Hydroxy-6-(trifluoromethyl)pyridine;6-(Trifluoromethyl)-2-pyridinol;6-(Trifluoromethyl)-2-pyridone;

Article Data 12

2-Hydroxy-6-trifluoromethylpyridine Specification

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

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