ChemicalBook--->CAS DataBase List--->131747-41-6

131747-41-6

131747-41-6 Structure

131747-41-6 Structure
IdentificationMore
[Name]

2-(Trifluoromethyl)isonicotinic acid
[CAS]

131747-41-6
[Synonyms]

2-(TRIFLUOROMETHYL)ISONICOTINIC ACID
2-(Trifluoromethyl)pyridine-4-carBoxylicacid
2-(Trifluoromethyl)isonicotinicacid97%
[Molecular Formula]

C7H4F3NO2
[MDL Number]

MFCD07774132
[Molecular Weight]

191.11
[MOL File]

131747-41-6.mol
Chemical PropertiesBack Directory
[Melting point ]

217-223℃
[Boiling point ]

338.9±42.0 °C(Predicted)
[density ]

1.484±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Solid
[pka]

2.94±0.10(Predicted)
[color ]

Off-white
[Water Solubility ]

Slightly soluble in water.
[InChI]

InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-4(6(12)13)1-2-11-5/h1-3H,(H,12,13)
[InChIKey]

BZFGKBQHQJVAHS-UHFFFAOYSA-N
[SMILES]

C1(C(F)(F)F)=NC=CC(C(O)=O)=C1
[CAS DataBase Reference]

131747-41-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38
[Safety Statements ]

26-36/37/39
[WGK Germany ]

3
[HS Code ]

2933399990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
Hazard InformationBack Directory
[Uses]

2-(Trifluoromethyl)isonicotinic Acid is useful reactant for the preparation of RAF709 as selective RAF inhibitor targeting RAS mutant cancer.
Spectrum DetailBack Directory
[Spectrum Detail]

2-(Trifluoromethyl)isonicotinic acid(131747-41-6)1HNMR
2-(Trifluoromethyl)isonicotinic acid(131747-41-6)19FNMR
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