ChemicalBook--->CAS DataBase List--->3796-23-4

3796-23-4

3796-23-4 Structure

3796-23-4 Structure
IdentificationMore
[Name]

3-Trifluoromethylpyridine
[CAS]

3796-23-4
[Synonyms]

3-(TRIFLUOROMETHYL)PYRIDINE
AKOS BBS-00001545
Pyridine, 3-(trifluoromethyl)-
alpha,alpha,alpha-Trifluoro-3-picoline
à,à,à-trifluoro-3-picoline
3-(Trifluoromethyl)pyridine 97%
3-(Trifluoromethyl)pyridine97%
[EINECS(EC#)]

223-268-2
[Molecular Formula]

C6H4F3N
[MDL Number]

MFCD00100032
[Molecular Weight]

147.1
[MOL File]

3796-23-4.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless liquid;Pale yellow liqui
[Boiling point ]

113-115 °C (lit.)
[density ]

1.276 g/mL at 25 °C
[refractive index ]

n20/D 1.418
[Fp ]

74 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

clear liquid
[pka]

2.80±0.10(Predicted)
[color ]

Colorless to Light yellow
[BRN ]

1563102
[InChI]

InChI=1S/C6H4F3N/c7-6(8,9)5-2-1-3-10-4-5/h1-4H
[InChIKey]

JTZSFNHHVULOGJ-UHFFFAOYSA-N
[SMILES]

C1=NC=CC=C1C(F)(F)F
[CAS DataBase Reference]

3796-23-4(CAS DataBase Reference)
[NIST Chemistry Reference]

3-(CF3)-pyridine(3796-23-4)
Questions And AnswerBack Directory
[Synthesis]

Use copper iodide (I) (13.3 mg, 0.07 mmol), 1,10-phenanthroline (12.6 mg, 0.07 mmol), KF (61 mg, 1.05 mmol, 3 eq.), and aryl iodide (0.35 mmol, 1 eq.). Close the reaction vessel, then evacuate and refill three times with argon or nitrogen. Add DMSO (1.0 mL) and aryl iodide (0.35 mmol) (if it is not solid), B(OMe)3 (109 mg, 117 μL, 1.05 mmol, 3 eq.), and TMSCF3 (149.3 mg, 155 μL, 1.05 mmol, 3 eq.) via syringe.

(eq.). The solid aryl iodide was weighed directly in the reaction vessel. The resulting orange-yellow suspension was stirred at 60°C for 24 hours. The sample was dissolved in Et₂O and analyzed by GC-MS to obtain 3-trifluoromethylpyridine, yield: 100%.
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Skull and Crossbones (GHS06)
GHS02,GHS06
[Signal word ]

Danger
[Hazard statements ]

H226-H300-H315-H319-H335
[Precautionary statements ]

P210-P233-P240-P301+P310-P303+P361+P353-P305+P351+P338
[Hazard Codes ]

T,Xi,F
[Risk Statements ]

R10:Flammable.
R25:Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R11:Highly Flammable.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S37:Wear suitable gloves .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 1992 3/PG 3
[WGK Germany ]

2
[Hazard Note ]

Irritant
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

2933399990
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Trifluoromethylpyridine(3796-23-4).msds
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid;Pale yellow liqui
[Uses]

3-(Trifluoromethyl)pyridine is a reagent used to improve amyloid detection in the brain during MRI.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Trifluoromethylpyridine(3796-23-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-(Trifluoromethyl)pyridine, 97%(3796-23-4)
[Sigma Aldrich]

3796-23-4(sigmaaldrich)
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