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76041-71-9

76041-71-9 Structure

76041-71-9 Structure
IdentificationMore
[Name]

3-CHLORO-2-HYDROXY-5-(TRIFLUOROMETHYL)PYRIDINE
[CAS]

76041-71-9
[Synonyms]

3-CHLORO-2-HYDROXY-5-(TRIFLUOROMETHYL)PYRIDINE
3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINOL
3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-OL
BUTTPARK 45\01-15
3-Chloro-2-hydroxy-5-(trifluoromethyl)pyridine 98%
3-Chloro-2-hydroxy-5-(trifluoromethyl)pyridine98%
[Molecular Formula]

C6H3ClF3NO
[MDL Number]

MFCD00153095
[Molecular Weight]

197.54
[MOL File]

76041-71-9.mol
Chemical PropertiesBack Directory
[Melting point ]

159-161 °C (lit.)
[Boiling point ]

234.6±40.0 °C(Predicted)
[density ]

1.53±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Solid
[pka]

8.06±0.10(Predicted)
[Appearance]

White to off-white Solid
[Detection Methods]

HPLC
[InChI]

1S/C6H3ClF3NO/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)
[InChIKey]

AJPOOWWMZOPUCG-UHFFFAOYSA-N
[SMILES]

Oc1ncc(cc1Cl)C(F)(F)F
[CAS DataBase Reference]

76041-71-9(CAS DataBase Reference)
Questions And AnswerBack Directory
[Uses]

3-Chloro-5-(trifluoromethyl)pyridin-2(3H)-one is a useful research chemical.
Safety DataBack Directory
[Hazard Codes ]

T,Xi
[Risk Statements ]

R25:Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29333990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->tert-Butanol-->2,3-Dichloro-5-(trifluoromethyl)pyridine-->2-Hydroxy-5-trifluoromethylpyridine-->N,N-Dimethylformamide-->N-Chlorosuccinimide-->N-Methyl-2-pyrrolidone
Hazard InformationBack Directory
[Chemical Properties]

White to light yellow solid
[Synthesis]

2-Hydroxy-5-trifluoromethylpyridine

33252-63-0

3-CHLORO-2-HYDROXY-5-(TRIFLUOROMETHYL)PYRIDINE

76041-71-9

General procedure for the synthesis of 3-chloro-2-hydroxy-5-(trifluoromethyl)pyridine from 2-hydroxy-5-(trifluoromethyl)pyridine: 2-hydroxy-5-(trifluoromethyl)pyridine (15.3 g, 0.094 mol) and N-chlorosuccinimide (14.4 g, 0.108 mol) were dissolved in 50 mL of anhydrous N,N-dimethylformamide (DMF) and nitromethane in a in a mixed solvent. The reaction mixture was stirred at room temperature for 8 hours. After the reaction was completed, the reaction solution was slowly poured into 250 mL of water and a light yellow precipitate was precipitated. The precipitate was collected by filtration and dried to give 17.1 g (0.087 mol) of 3-chloro-5-trifluoromethyl-2-hydroxypyridine in 92% yield.

[References]

[1] Patent: CN102875453, 2016, B. Location in patent: Paragraph 0025
Spectrum DetailBack Directory
[Spectrum Detail]

3-CHLORO-2-HYDROXY-5-(TRIFLUOROMETHYL)PYRIDINE(76041-71-9)1HNMR
3-CHLORO-2-HYDROXY-5-(TRIFLUOROMETHYL)PYRIDINE(76041-71-9)IR
3-CHLORO-2-HYDROXY-5-(TRIFLUOROMETHYL)PYRIDINE(76041-71-9)Raman
3-CHLORO-2-HYDROXY-5-(TRIFLUOROMETHYL)PYRIDINE(76041-71-9)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-chloro-5-(trifluoromethyl)pyridin-2-ol(76041-71-9)
[Sigma Aldrich]

76041-71-9(sigmaaldrich)
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