CAS No.1978-38-7,2-Fluoro-N-methylaniline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1978-38-7
Name:	2-Fluoro-N-methylaniline
Article Data:	22

Formula:	C₇H₈FN
Molecular Weight:	125.146
Synonyms:	Aniline,o-fluoro-N-methyl- (6CI,8CI);N-Methyl-o-fluoroaniline;N-Methyl-2-fluoroaniline;N-(2-Fluorophenyl)methylamine;2-Fluoro-N-methylbenzenamine;N-methyl-2-fluoraniline;2-Fluoro-N-methylaniline;
Density:	1.106 g/cm³
Boiling Point:	180.323 °C at 760 mmHg
Flash Point:	62.857 °C
Hazard Symbols:	T
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	12.03000
LogP:	1.94040

Synthetic route

: 348-54-9
2-Fluoroaniline

: 616-38-6
carbonic acid dimethyl ester

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
under 760.051 Torr; Reagent/catalyst; Molecular sieve; Reflux; Green chemistry;	99.4%

: 1272654-63-3
N-methyl-N-(2-fluorophenyl)formamide

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
With sulfuric acid; water at 80℃; for 5h;	98.4%
With C18H37ClMoNO2P2; hydrogen; sodium triethylborohydride In tetrahydrofuran; toluene at 130℃; under 37503.8 Torr; for 24h; Autoclave; Glovebox;	15 %Chromat.

: N-(2-fluorophenyl)methanimine

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
With hydrogen at 120℃; under 7500.75 Torr; for 3h; Reagent/catalyst; Temperature; Pressure;	96.6%

: 50-00-0
formaldehyd

: 348-54-9
2-Fluoroaniline

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
Stage #1: formaldehyd; 2-Fluoroaniline With potassium hydroxide In methanol at 85℃; for 2h; Sealed tube; Stage #2: With methanol; sodium tetrahydroborate at 0 - 85℃; for 1h; Reagent/catalyst; Temperature; Sealed tube;	95%
With methanol; sodium tetrahydroborate; sodium at 60℃; for 2h;	65%

: 348-54-9
2-Fluoroaniline

: 74-89-5
methylamine

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
Stage #1: 2-Fluoroaniline With hydrogenchloride In water for 0.5h; Stage #2: With sodium nitrite In water at -10 - 5℃; for 1.5h; Stage #3: methylamine In water at 50℃; for 2.5h; Temperature;	95%

: 900537-29-3
N-methyl-N-nosyl-o-fluoroaniline

: 68-11-1
mercaptoacetic acid

A: 3406-75-5
2-(4-nitrophenylthio)acetic acid

B: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 20℃;	A n/a B 88%

...Expand

: 67-56-1
methanol

: 348-54-9
2-Fluoroaniline

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
With [Cp*Ir(2-(1H-benzo[d]imidazol-2-yl)-1H-benzo[d]imidazole)Cl][Cl]; caesium carbonate at 120℃; for 12h; Schlenk technique;	87%

: 348-54-9
2-Fluoroaniline

: 74-88-4
methyl iodide

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
Stage #1: 2-Fluoroaniline With n-butyllithium In tetrahydrofuran; hexane at -50 - 20℃; for 1.25h; Stage #2: methyl iodide In tetrahydrofuran; hexane for 5.25h; Further stages.;	80%

: 824-48-6
N-(2-fluorophenyl)formamide

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
In tetrahydrofuran; methanol	59%
Stage #1: N-(2-fluorophenyl)formamide With borane In tetrahydrofuran Heating; Stage #2: With hydrogenchloride In methanol; ethanol Further stages.;
With hydrogenchloride; sodium hydroxide; borane In tetrahydrofuran; 1,4-dioxane at 0 - 60℃; for 4h; Under argon gas;

: 348-54-9
2-Fluoroaniline

: 1978-38-7
2-fluoro-N-methylaniline

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 93 percent / pyridine / CH2Cl2 / 20 °C 2: 100 percent / CH2Cl2 / 0.17 h / 20 °C 3: 88 percent / 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 20 °C View Scheme
Multi-step reaction with 2 steps 1.1: acetic anhydride / 2 h / 50 °C 1.2: 1 h / 20 °C 2.1: borane-THF / tetrahydrofuran / 2 h / 50 °C 2.2: 1 h / 60 °C View Scheme
Multi-step reaction with 3 steps 1: triethylamine / dichloromethane / 3 h / 0 - 20 °C / Large scale 2: sodium hydride / mineral oil; tetrahydrofuran / 4 h / 0 °C / Large scale 3: ammonium hydroxide / water / 5 h / Reflux; Large scale View Scheme
Multi-step reaction with 3 steps 1: toluene / 6 h / 88 - 110 °C 2: potassium carbonate / 4 h / 130 °C / 3000.3 - 4500.45 Torr / Autoclave 3: sulfuric acid; water / 5 h / 80 °C View Scheme

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Specification

The 2-Fluoro-N-methylaniline, with the CAS registry number 1978-38-7, is also known as N-Methyl-2-fluoroaniline. It belongs to the product categories of Amines; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₇H₈FN and molecular weight is 125.14. What's more, its systematic name is 2-Fluoro-N-methylaniline. It is used as pharmaceutical intermediates. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices. It should be protected from oxides.

Physical properties of 2-Fluoro-N-methylaniline are: (1)ACD/LogP: 1.887; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 15.76; (6)ACD/BCF (pH 7.4): 15.98; (7)ACD/KOC (pH 5.5): 249.57; (8)ACD/KOC (pH 7.4): 253.04; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.03 Å²; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 35.856 cm³; (15)Molar Volume: 113.099 cm³; (16)Polarizability: 14.214×10^-24cm³; (17)Surface Tension: 34.1 dyne/cm; (18)Density: 1.106 g/cm³; (19)Flash Point: 62.857 °C; (20)Enthalpy of Vaporization: 41.659 kJ/mol; (21)Boiling Point: 180.323 °C at 760 mmHg; (22)Vapour Pressure: 0.9 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccccc1NC
(2)Std. InChI: InChI=1S/C7H8FN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
(3)Std. InChIKey: LDVAIJZDACHGML-UHFFFAOYSA-N