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CAS No.: | 76041-71-9 |
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Name: | 3-CHLORO-2-HYDROXY-5-(TRIFLUOROMETHYL)PYRIDINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H3ClF3NO |
Molecular Weight: | 197.544 |
Synonyms: | 3-Chloro-5-(trifluoromethyl)-2-pyridinol;3-Chloro-5-trifluoromethyl-2-pyridone; |
Density: | 1.53 g/cm3 |
Melting Point: | 159-161 °C(lit.) |
Boiling Point: | 234.6 °C at 760 mmHg |
Flash Point: | 95.7 °C |
Hazard Symbols: | T,Xi |
Risk Codes: | 25-36/37/38 |
Safety: | 26-36/37-45 |
PSA: | 33.12000 |
LogP: | 2.45940 |
2-hydroxy-5-(trifluoromethyl)pyridine
3-chloro-2-hydroxy-5-(trifluoromethyl)pyridine
Conditions | Yield |
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With N-chloro-succinimide In 1-methyl-pyrrolidin-2-one; N,N-dimethyl-formamide at 20℃; for 8h; Solvent; | 92% |
2,3-dichloro-5-trifluoromethylpyridine
3-chloro-2-hydroxy-5-(trifluoromethyl)pyridine
Conditions | Yield |
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With potassium hydroxide In tert-butyl alcohol for 1h; Heating; | 75.2% |
2,3-dichloro-5-(trichloromethyl)pyridine
3-chloro-2-hydroxy-5-(trifluoromethyl)pyridine
Conditions | Yield |
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Multi-step reaction with 2 steps 1: 80.4 percent / antimony trifluoride / 0.17 h / Heating; Irradiation 2: 75.2 percent / potassium hydroxide / 2-methyl-propan-2-ol / 1 h / Heating View Scheme |
6-hydroxy-3-pyridinecarboxylic acid
3-chloro-2-hydroxy-5-(trifluoromethyl)pyridine
Conditions | Yield |
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Multi-step reaction with 2 steps 1: hydrogen fluoride; sulfur tetrafluoride / 12 h / 100 °C / 1125.11 Torr / Autoclave 2: N-chloro-succinimide / N,N-dimethyl-formamide; 1-methyl-pyrrolidin-2-one / 8 h / 20 °C View Scheme |
chloroacetic acid ethyl ester
3-chloro-2-hydroxy-5-(trifluoromethyl)pyridine
Conditions | Yield |
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With potassium carbonate In acetonitrile Reflux; | 94% |
3-chloro-2-hydroxy-5-(trifluoromethyl)pyridine
3-chloro-1-(3-(diethoxymethyl)phenyl)-5-(trifluoromethyl)-2(1H)-pyridinone
Conditions | Yield |
---|---|
With pyridine; copper diacetate In dichloromethane at 50℃; for 16h; | 89% |
3-chloro-2-hydroxy-5-(trifluoromethyl)pyridine
p-toluenesulfonyl chloride
3-chloro-5-(trifluoromethyl)-2-pyridinyl tosylate
Conditions | Yield |
---|---|
With dmap; triethylamine In dichloromethane at 20℃; for 1h; | 84% |
2-(chloromethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
3-chloro-2-hydroxy-5-(trifluoromethyl)pyridine
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; potassium carbonate In N,N-dimethyl-formamide at 90℃; | 78% |
3-chloro-2-hydroxy-5-(trifluoromethyl)pyridine
2-(chloromethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
Conditions | Yield |
---|---|
With tetrabutylammomium bromide; potassium carbonate In N,N-dimethyl-formamide at 90℃; | 77% |
3-chloro-2-hydroxy-5-(trifluoromethyl)pyridine
5-(2,4-dichloro-5-fluorophenyl)-2-(chloromethyl)-1,3,4-oxadiazole
Conditions | Yield |
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With tetrabutylammomium bromide; potassium carbonate In N,N-dimethyl-formamide at 90℃; | 75% |
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The 3-Chloro-2-hydroxy-5-(trifluoromethyl)pyridine is an organic compound with the formula C6H3ClF3NO. The IUPAC name of this chemical is 3-chloro-5-(trifluoromethyl)pyridin-2(1H)-one. With the CAS registry number 76041-71-9, it is also named as 2(1H)-Pyridinone, 3-chloro-5-(trifluoromethyl)-. The product's categories are Pyridine Series; C6Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyridines.
Physical properties about 3-Chloro-2-hydroxy-5-(trifluoromethyl)pyridine are: (1)ACD/LogP: 0.14; (2)ACD/LogD (pH 5.5): 1.31; (3)ACD/LogD (pH 7.4): 0.11; (4)ACD/BCF (pH 5.5): 4.72; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 82.03; (7)ACD/KOC (pH 7.4): 5.18; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 20.31 Å2; (11)Index of Refraction: 1.474; (12)Molar Refractivity: 36.1 cm3; (13)Molar Volume: 128.3 cm3; (14)Polarizability: 14.31×10-24cm3; (15)Surface Tension: 31.6 dyne/cm; (16)Density: 1.53 g/cm3; (17)Flash Point: 95.7 °C; (18)Enthalpy of Vaporization: 47.13 kJ/mol; (19)Boiling Point: 234.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0525 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is toxic if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible)
You can still convert the following datas into molecular structure:
(1)SMILES: Cl\C1=C\C(=C/NC1=O)C(F)(F)F
(2)InChI: InChI=1/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)
(3)InChIKey: AJPOOWWMZOPUCG-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)
(5)Std. InChIKey: AJPOOWWMZOPUCG-UHFFFAOYSA-N