| Identification | More | [Name]
2-Methoxy-3-(trifluoromethyl)pyridine | [CAS]
121643-44-5 | [Synonyms]
2-METHOXY-3-(TRIFLUOROMETHYL)PYRIDINE
BUTTPARK 45\01-90
2-Methoxy-3-(trifluoromethyl)pyridine 98%
2-Methoxy-3-(trifluoromethyl)pyridine98%
METHOXY-3-TRIFLUOROMETHYLPYRIDINE | [Molecular Formula]
C7H6F3NO | [MDL Number]
MFCD00153202 | [Molecular Weight]
177.12 | [MOL File]
121643-44-5.mol |
| Chemical Properties | Back Directory | [Boiling point ]
44 °C | [density ]
1.297 g/mL at 25 °C
| [refractive index ]
n20/D 1.441
| [Fp ]
118 °F
| [storage temp. ]
Inert atmosphere,2-8°C | [solubility ]
soluble in Methanol | [form ]
clear liquid | [pka]
0.97±0.10(Predicted) | [color ]
Colorless to Almost colorless | [InChI]
InChI=1S/C7H6F3NO/c1-12-6-5(7(8,9)10)3-2-4-11-6/h2-4H,1H3 | [InChIKey]
SSAZZVQVJJXPMB-UHFFFAOYSA-N | [SMILES]
C1(OC)=NC=CC=C1C(F)(F)F | [CAS DataBase Reference]
121643-44-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS06 | [Signal word ]
Danger | [Hazard statements ]
H226-H300-H315-H319-H335 | [Precautionary statements ]
P261-P264-P301+P310-P305+P351+P338 | [Hazard Codes ]
T,Xi,Xn | [Risk Statements ]
R10:Flammable.
R25:Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing . | [RIDADR ]
UN 1992 3/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [PackingGroup ]
III | [HS Code ]
2933399990 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 2 Oral
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
| Questions And Answer | Back Directory | [storage]
2-Methoxy-3-(trifluoromethyl)pyridine store at room temperature. | [Uses]
2-Methoxy-3-(trifluoromethyl)pyridine belongs to pyridine derivatives and can be used as pharmaceutical intermediates. |
| Hazard Information | Back Directory | [Synthesis]
2-Chloro-3-trifluoromethylpyridine (3 g, 16.53 mmol) was dissolved in 30 mL of a methanol solution of sodium methanolate (5.4 M). The reaction mixture was stirred at room temperature for 48 hours. After completion of the reaction, the mixture was cooled in an ice bath and extracted three times with dichloromethane (DCM). The organic phases were combined, washed with saturated sodium chloride solution and dried over anhydrous magnesium sulfate. The organic phase was concentrated under reduced pressure to afford 2-methoxy-3-trifluoromethylpyridine as a colorless liquid (2.7 g, 89% yield). The product was characterized by 1H-NMR (400 MHz, DMSO-d6, 298 K): δ 3.98 (s, 3H), 7.2 (dd, 1H), 8.11 (d, 1H), 8.45 (d, 1H). Mass Spectrometry (MS): m/z 178.1 [M+1]+, retention time (Rt) = 1.29 min. | [References]
[1] Patent: WO2013/57711, 2013, A1. Location in patent: Page/Page column 45-46
[2] Patent: WO2013/88404, 2013, A1. Location in patent: Page/Page column 92
[3] Patent: US2015/342951, 2015, A1. Location in patent: Paragraph 0841-0842 |
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