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80194-69-0

80194-69-0 Structure

80194-69-0 Structure
IdentificationMore
[Name]

5-(Trifluoromethyl)pyridine-2-carboxylic acid
[CAS]

80194-69-0
[Synonyms]

5-TRIFLUOROMETHYL-2-PYRIDINECARBOXYLIC ACID
5-(TRIFLUOROMETHYL)PICOLINIC ACID
5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID
5-Trifluoromethyl-2-Pyridineca
5-(Trifluoromethyl)pyridine-2-carboxylic acid 97%
5-(Trifluoromethyl)pyridine-2-carboxylicacid97%
[Molecular Formula]

C7H4F3NO2
[MDL Number]

MFCD04113632
[Molecular Weight]

191.11
[MOL File]

80194-69-0.mol
Chemical PropertiesBack Directory
[Melting point ]

135-137°C
[Boiling point ]

273.7±40.0 °C(Predicted)
[density ]

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

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

DMSO (Slightly), Methanol (Slightly)
[form ]

Powder
[pka]

3.13±0.10(Predicted)
[color ]

Pale brown
[Water Solubility ]

Slightly soluble in water.
[InChI]

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

NJHGVAYLDHROPT-UHFFFAOYSA-N
[SMILES]

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

80194-69-0(CAS DataBase Reference)
Safety DataBack 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 .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2933399990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetate-->Diethyl ether-->Tetrahydrofuran-->N,N-Dimethylformamide-->Toluene-->n-Butyllithium-->Hexane-->Nitrogen-->Carbon dioxide-->Iodine-->N-Methyl-2-pyrrolidone-->(Trifluoromethyl)trimethylsilane-->2,5-Dibromopyridine-->2-Bromo-5-(trifluoromethyl)pyridine-->2-Iodo-5-trifluoromethylpyridine-->5-(Trifluoromethyl)picolinonitrile
[Preparation Products]

5-Trifluoromethyl-pyridine-2-carboxylic acid methyl ester
Hazard InformationBack Directory
[Uses]

5-(Trifluoromethyl)pyridine-2-carboxylic acid is an intermediate used in the synthesis of β-secretase (BACE) inhibitors.
[Uses]

5-(Trifluoromethyl)pyridine-2-carboxylic acid is an intermediate used in the synthesis of β-secretase (BACE) inhibitors.
Spectrum DetailBack Directory
[Spectrum Detail]

5-(Trifluoromethyl)pyridine-2-carboxylic acid(80194-69-0)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

80194-69-0(sigmaaldrich)
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