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87407-12-3

87407-12-3 Structure

87407-12-3 Structure
IdentificationBack Directory
[Name]

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

87407-12-3
[Synonyms]

3-(TRIFLUOROMETHYL)PICOLINIC ACID
3-(TRIFLUOROMETHYL)-2-PICOLINIC ACID
3-(Trifluoromethy)pyridine-2-carboxylic acid
3-(trifluoromethyl)-2-pyridinecarboxylic acid
3-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID
2-Pyridinecarboxylic acid, 3-(trifluoromethyl)-
3-(Trifluoromethyl)-2-pyridinecarboxylicacid(en)
3-(Trifluoromethyl)pyridine-2-carboxylic acid ISO 9001:2015 REACH
3-(Trifluoromethyl)picolinic acid, 2-Carboxy-3-(trifluoromethyl)pyridine
[Molecular Formula]

C7H4F3NO2
[MDL Number]

MFCD07375386
[MOL File]

87407-12-3.mol
[Molecular Weight]

191.11
Chemical PropertiesBack Directory
[Melting point ]

125-130°C
[Boiling point ]

274.4±40.0 °C(Predicted)
[density ]

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

Room temperature.
[solubility ]

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

Solid
[pka]

2.67±0.36(Predicted)
[color ]

Off-White
[InChI]

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

DMWLBOPLZYJGPT-UHFFFAOYSA-N
[SMILES]

OC(=O)c1ncccc1C(F)(F)F
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H315-H319-H335
[Precautionary statements ]

P301+P310+P330-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,T
[Risk Statements ]

25-36/37/38
[Safety Statements ]

26-45
[RIDADR ]

2811
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[PackingGroup ]

[HS Code ]

2933399990
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

As Picolinic acid (P437220) derivative, 3-(Trifluoromethyl)pyridine-2-carboxylic acid can be used in the synthesis of oxazine derivatives that act as BACE inhibitors for treatment of diabetes and neurological disorders.
[Synthesis Reference(s)]

Tetrahedron, 50, p. 12259, 1994 DOI: 10.1016/S0040-4020(01)89575-2
Spectrum DetailBack Directory
[Spectrum Detail]

3-(Trifluoromethyl)pyridine-2-carboxylic acid(87407-12-3)19FNMR
3-(Trifluoromethyl)pyridine-2-carboxylic acid(87407-12-3)13CNMR
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