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ChemicalBook--->CAS DataBase List--->588702-62-9

588702-62-9

588702-62-9 Structure

588702-62-9 Structure
IdentificationBack Directory
[Name]

4-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID
[CAS]

588702-62-9
[Synonyms]

4-(TRIFLUOROMETHYL)-PICOLINIC ACID
4-(Trifluoromethyl)-2-pyridinecarboxylicaci
4-(Trifluoromethyl)-2-pyridinecarboxylic acid
4-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID
2-Pyridinecarboxylic acid, 4-(trifluoromethyl)-
4-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID ISO 9001:2015 REACH
4-(Trifluoromethyl)picolinic acid, 2-Carboxy-4-(trifluoromethyl)pyridine
[EINECS(EC#)]

633-443-9
[Molecular Formula]

C7H4F3NO2
[MDL Number]

MFCD07438043
[MOL File]

588702-62-9.mol
[Molecular Weight]

191.11
Chemical PropertiesBack Directory
[Melting point ]

159-161°C
[Boiling point ]

293.6±40.0 °C(Predicted)
[density ]

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

Keep in dark place,Sealed in dry,Room Temperature
[form ]

fine crystalline powder
[pka]

3.21±0.10(Predicted)
[color ]

Faint lemon (hint of cream)
[InChI]

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

BPRWTROIQXSSOC-UHFFFAOYSA-N
[SMILES]

C1(C(O)=O)=NC=CC(C(F)(F)F)=C1
Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

36/37/38-20/21/22
[Safety Statements ]

26-36/37/39-51-38-36/37-24/25-22-7/9
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2933399990
Hazard InformationBack Directory
[Description]

Pyridine-2-carboxylic acid (picolinic acid) has been extensively studied due to its magnetic, structural, medicinal and biological properties. Picolinic acid plays a vital role in the absorption of zinc and has neuro-protective, immunological and antiproliferative effects within the body. The multifunctional ligands containing N and O-donors, such as picolinic acid, are of great interest since they are significant from the industrial point of view. 4-(Trifluoromethyl)pyridine-2-carboxylic acid, a derivative of picolinic acid, could be used to synthesise a new polymeric copper(II) complex as a ligand[1].
[References]

[1] Hatice Vural, Metin Orbay. “Synthesis, crystal structure, spectroscopic investigations and DFT calculations of the copper(II) complex of 4-(Trifluoromethyl)pyridine-2-carboxylic acid.” Journal of Molecular Structure 1146 (2017): Pages 669-676.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(Trifluoromethyl)pyridine-2-carboxylic acid(588702-62-9)1HNMR
4-(Trifluoromethyl)pyridine-2-carboxylic acid(588702-62-9)1HNMR
4-(Trifluoromethyl)pyridine-2-carboxylic acid(588702-62-9)19FNMR
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