| Identification | More | [Name]
6-(Trifluoromethyl)nicotinic acid | [CAS]
231291-22-8 | [Synonyms]
2-TRIFLUOROMETHYL-5-PYRIDINECARBOXYLIC ACID
6-(TRIFLUOROMETHYL)NICOTINIC ACID
6-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXYLIC ACID
RARECHEM AL BO 1001
6-Trifluoromethyl
6-(tritrifluoromethyl)nicotinic acid
6-(Trifluoromethyl)nicotinic acid 98%
6-(Trifluoromethyl)nicotinicacid98%
3,5-Dichloropyrazine-2-carboxylic acid
6-(TRIFLUROMETHYL)NICOTINICACID
TRIFLUOROMETHYL NICOTINIC ACID
2-(TRIFLUOROMETHYL)PYRIDINE-5-CARBOXYLIC ACID | [EINECS(EC#)]
624-411-5 | [Molecular Formula]
C7H4F3NO2 | [MDL Number]
MFCD00792430 | [Molecular Weight]
191.11 | [MOL File]
231291-22-8.mol |
| Chemical Properties | Back Directory | [Appearance]
White solid | [Melting point ]
193-197 °C(lit.)
| [Boiling point ]
259.3±40.0 °C(Predicted) | [density ]
1.484±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
Acetonitrile (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
2.96±0.10(Predicted) | [color ]
Pale Beige to Light Brown | [InChI]
InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-4(3-11-5)6(12)13/h1-3H,(H,12,13) | [InChIKey]
JNYLMODTPLSLIF-UHFFFAOYSA-N | [SMILES]
C1=NC(C(F)(F)F)=CC=C1C(O)=O | [CAS DataBase Reference]
231291-22-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
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:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29333990 |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Physical properties]
6-Trifluoromethylnicotinic acid is a white powder with a melting point
of 193-197 °C. It has a boiling point of 259.3℃ at 760 mmHg. Its
density is 1.484 g/cm3. Its flash point, refractive index and vapor
pressure are 110.6℃, 1.475 and 0.007mmHg at 25°C, respectively. | [Uses]
6-Trifluoromethyl Nicotinic Acid can be prepared to use Raf inhibitors to treat cancer. | [Synthesis]
To a 10L three-necked flask were added 1420 g of water, 2440 g of sulfuric acid, and 150 mL of glacial acetic acid, and 870 g (5 mol) of 6-(trifluoromethyl)nicotinonitrile was added slowly. The mixture was heated to reflux and kept overnight. Upon completion of the reaction, the reaction mixture was cooled, ice was added and the mixture was cooled using ice brine to precipitate a white solid. After filtration, the filtrate was extracted with ethyl acetate. The organic phases were combined and washed twice with water, followed by drying the organic phase to acidity. After washing, 930 g of 6-(trifluoromethyl)-3-pyridinecarboxylic acid was obtained as a beige solid in 97.3% yield. | [References]
[1] Patent: CN107298677, 2017, A. Location in patent: Paragraph 0036-0038
[2] Patent: CN107337638, 2017, A. Location in patent: Paragraph 0031; 0032; 0033
[3] Patent: EP1122242, 2001, A1
[4] Patent: US6673799, 2004, B1. Location in patent: Page column 16 |
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