| Identification | More | [Name]
2-(Trifluoromethyl)nicotinic acid | [CAS]
131747-43-8 | [Synonyms]
2-(TRIFLUOROMETHYL)NICOTINIC ACID
2-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXYLI&
2-(Trifluoromethyl)pyridine-3-carboxylic acid
2-(TRIFLUOROMETHYL)-3-PYRIDINECARBOXYLIC ACID | [EINECS(EC#)]
223-090-5 | [Molecular Formula]
C7H4F3NO2 | [MDL Number]
MFCD01862052 | [Molecular Weight]
191.11 | [MOL File]
131747-43-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
184-188 °C | [Boiling point ]
259.9±40.0 °C(Predicted) | [density ]
1.484±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
Methanol (Slightly) | [form ]
Solid | [pka]
2.50±0.36(Predicted) | [color ]
Off-White | [Usage]
A intermediate for agrochemical fungicides | [InChI]
InChI=1S/C7H4F3NO2/c8-7(9,10)5-4(6(12)13)2-1-3-11-5/h1-3H,(H,12,13) | [InChIKey]
BFROETNLEIAWNO-UHFFFAOYSA-N | [SMILES]
C1(C(F)(F)F)=NC=CC=C1C(O)=O | [CAS DataBase Reference]
131747-43-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R22:Harmful if swallowed. | [Safety Statements ]
26-37 | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29333990 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
White to light brown powder or crystal | [Uses]
A intermediate for agrochemical fungicides | [Synthesis]
In a 250 mL three-necked flask, sodium hydroxide solution (310 g, 7 wt%) and ethyl 2-trifluoromethylnicotinate (100 g) were added. The reaction mixture was heated to 100 °C and the reaction was stirred at this temperature for 1 hour. The progress of the reaction was monitored by gas chromatography (GC). When the conversion reached 99%, the heating was stopped and the reaction mixture was cooled to room temperature. The reaction mixture was neutralized with hydrochloric acid solution (61 g, 30 wt%) to pH neutral. Subsequently, the reaction mixture was filtered and the solid product was washed with water to give 2-trifluoromethylnicotinic acid. Yield: 97%; purity: 99.5%. | [References]
[1] Patent: WO2018/55640, 2018, A1. Location in patent: Page/Page column 5 |
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