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Basic Information
CAS No.: 113770-87-9
Name: 3-FLUORO-4-(TRIFLUOROMETHYL)PYRIDINE
Molecular Structure:
Molecular Structure of 113770-87-9 (3-FLUORO-4-(TRIFLUOROMETHYL)PYRIDINE)
Formula: C6H3F4N
Molecular Weight: 165.09
Synonyms: 3-Fluoro-4-trifluoromethylpyridine;
EINECS: -0
Density: 1.371 g/cm3
Boiling Point: 139.163 °C at 760 mmHg
Flash Point: 37.965 °C
Appearance: Light yellow liquid
Hazard Symbols: FlammableF,ToxicT,CorrosiveC
Risk Codes: 11-25-36/37/38
Safety: 26-45
Transport Information: UN 1992 3/PG 2
PSA: 12.89000
LogP: 2.23950
Synthetic route
113770-87-9

3-fluoro-4-(trifluoromethyl)-pyridine

124-68-5

2-Amino-2-methyl-1-propanol

C10H13F3N2O

Conditions
ConditionsYield
Stage #1: 2-Amino-2-methyl-1-propanol With sodium hydride In 1,4-dioxane; mineral oil at 0℃; for 0.25h;
Stage #2: 3-fluoro-4-(trifluoromethyl)-pyridine In 1,4-dioxane; mineral oil at 100℃; for 1h;
84%
Stage #1: 2-Amino-2-methyl-1-propanol With sodium hydride In 1,4-dioxane; mineral oil at 0℃; for 0.25h;
Stage #2: 3-fluoro-4-(trifluoromethyl)-pyridine In 1,4-dioxane; mineral oil at 100℃; for 1h;
84%
113770-87-9

3-fluoro-4-(trifluoromethyl)-pyridine

64318-28-1

N-t-butoxycarbonyl-tyramine

1210071-59-2

{2-[4-(4-trifluoromethylpyridine-3-yloxy)phenyl]ethyl}carbamic acid tert-butyl ester

Conditions
ConditionsYield
With potassium carbonate In dimethyl sulfoxide at 100℃; for 0.5h;60%
109-72-8, 29786-93-4

n-butyllithium

113770-87-9

3-fluoro-4-(trifluoromethyl)-pyridine

C6H2F4LiN

Conditions
ConditionsYield
In tetrahydrofuran; hexane at -78℃; for 1h;
113770-87-9

3-fluoro-4-(trifluoromethyl)-pyridine

3-fluoro-4-(trifluoromethyl)pyridine 1-oxide

Conditions
ConditionsYield
With dihydrogen peroxide; methyltrioxorhenium(VII) at 0 - 20℃;
113770-87-9

3-fluoro-4-(trifluoromethyl)-pyridine

1338226-04-2

3-(difluoromethyl)-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: dihydrogen peroxide / methyltrioxorhenium(VII) / 0 - 20 °C
2.1: hydrogen; trifluoroacetic anhydride / 15 h / 85 °C
2.2: pH 9
3.1: potassium carbonate / 1,4-dioxane / 0.08 h
3.2: 2 h / 20 °C
4.1: potassium carbonate / 75 °C
View Scheme
113770-87-9

3-fluoro-4-(trifluoromethyl)-pyridine

1227594-89-9

3-fluoro-4-(trifluoromethyl)pyridin-2-ol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: dihydrogen peroxide / methyltrioxorhenium(VII) / 0 - 20 °C
2.1: hydrogen; trifluoroacetic anhydride / 15 h / 85 °C
2.2: pH 9
View Scheme
113770-87-9

3-fluoro-4-(trifluoromethyl)-pyridine

1338226-22-4

3-fluoro-1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4-(trifluoromethyl)pyridin-2(1 H)-one

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: dihydrogen peroxide / methyltrioxorhenium(VII) / 0 - 20 °C
2.1: hydrogen; trifluoroacetic anhydride / 15 h / 85 °C
2.2: pH 9
3.1: potassium carbonate / 1,4-dioxane / 0.08 h
3.2: 2 h / 20 °C
View Scheme
113770-87-9

3-fluoro-4-(trifluoromethyl)-pyridine

91837-43-3

1,3-dioxoisoindolin-2-yl (tert-butoxycarbonyl)glycinate

A

tert-butyl (1-(3-fluoro-4-trifluoromethylpyridin-2-yl)methyl)carbamate

B

tert-butyl (1-(5-fluoro-4-trifluoromethylpyridin-2-yl)methyl)carbamate

Conditions
ConditionsYield
With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; trifluoroacetic acid In N,N-dimethyl acetamide at 38℃; for 16h; Minisci Aromatic Substitution; Microwave irradiation; Inert atmosphere; Overall yield = 351 mg; regioselective reaction;
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Chemistry

Molecule structure of 3-Fluoro-4-(trifluoromethyl)pyridine (CAS NO.113770-87-9):

Molecular Formula: C6H3F4N
Molecular Weight: 165.09 g/mol
Density: 1.371 g/cm3 
Boiling Point: 139.163 °C at 760 mmHg 
Flash Point: 37.965 °C
Index of Refraction: 1.402
Molar Refractivity: 29.318 cm3
Molar Volume: 120.377 cm3
Polarizability: 11.622×10-24 cm3
Surface Tension: 23.754 dyne/cm
 Enthalpy of Vaporization: 36.09 kJ/mol
Vapour Pressure: 8.101 mmHg at 25 °C 
InChI: InChI=1/C6H3F4N/c7-5-3-11-2-1-4(5)6(8,9)10/h1-3H 
InChIKey: AXHLDFPTUFGBRL-UHFFFAOYAQ 
Product Categories of 3-Fluoro-4-(trifluoromethyl)pyridine (CAS NO.113770-87-9): Pyridine series; Pyridine

Safety Profile

Hazard Codes: FlammableF, ToxicT, IrritantXi
Risk Statements: 11-25-36/37/38 
R11:Highly flammable. 
R25 :Toxic if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-45 
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 the label whenever possible.)
RIDADR: UN 1992 3/PG 2
WGK Germany: 3
Hazard Note: Flammable
HazardClass: 3
PackingGroup: III

Specification

 3-Fluoro-4-(trifluoromethyl)pyridine (CAS NO.113770-87-9) is also named as Pyridine, 3-fluoro-4-(trifluoromethyl)- ; alpha,alpha,alpha,3-Tetrafluoropicoline .