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2,6-Difluoroaniline
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Name

2,6-Difluoroaniline

 EINECS 226-853-0
CAS No. 5509-65-9 Density 1.289 g/cm3
PSA 26.02000 LogP 2.12820
Solubility Slightly soluble in water. Melting Point 144-148 °C
Formula C6H5F2N Boiling Point 154 °C at 760 mmHg
Molecular Weight 129.109 Flash Point 43.3 °C
Transport Information UN 1993 3/PG 3 Appearance clear yellow to brown liquid
Safety 36-36/37/39-26-23-16-16/23/26/36/37/39 Risk Codes 10-20/21/22-36/37/38
Molecular Structure Molecular Structure of 5509-65-9 (2,6-Difluoroaniline) Hazard Symbols HarmfulXn, IrritantXi, FlammableF
Synonyms

benzenamine, 2,6-difluoro-;2,6-Difluorobenzenamine;

Article Data 13

2,6-Difluoroaniline Synthetic route

18063-03-1

2,6-difluorobenzamide

5509-65-9

2,6-difluoroaniline

Conditions
ConditionsYield
With sodium hypochlorite; sodium hydroxide In water at -5℃; for 2h; Reagent/catalyst; Hofmann Rearrangement; Large scale; Green chemistry;92%
With sodium hypochlorite; sodium hydroxide at -5℃; for 1.5h; Large scale;89.6%
38361-37-4

1-chloro-2,6-difluorobenzene

A

367-11-3

ortho-difluorobenzene

B

5509-65-9

2,6-difluoroaniline

Conditions
ConditionsYield
With ammonium hydroxide; copper(I) oxide at 160℃; for 24h; bomb; Further byproducts given;A 2%
B 71%
102284-85-5

2-azido-1,3-difluorobenzene

108-88-3

toluene

A

5509-65-9

2,6-difluoroaniline

B

N-benzyl-2,6-difluoroaniline

C

cis-1,2-bis(2,6-difluorophenyl)diazene

Conditions
ConditionsYield
With naphtophenone at 25℃; for 4h; Product distribution; Irradiation; further tenmperatures;A 54%
B 13%
C 10%
385-00-2

2,6-difluorobenzoic acid

5509-65-9

2,6-difluoroaniline

Conditions
ConditionsYield
With sodium azide; sulfuric acid
1435-43-4

1-chloro-3,5-difluorobenzene

A

367-25-9

2,4-difluorophenylamine

B

5509-65-9

2,6-difluoroaniline

Conditions
ConditionsYield
Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts;
87-61-6

1,2,3-trichlorobenzene

A

4519-40-8

2,3-difluoroanilline

B

5509-65-9

2,6-difluoroaniline

Conditions
ConditionsYield
With ammonium hydroxide; cesium fluoride; copper(I) oxide 1.) N,N'-dimethylethyleneurea, 250 deg C (bomb), 12 h, 2.) 170 deg C (bomb), 24 h; Yield given. Multistep reaction. Further byproducts given. Yields of byproduct given;
With ammonium hydroxide; cesium fluoride; copper(I) oxide 1.) N,N'-dimethylethyleneurea, 250 deg C (bomb), 12 h, 2.) 160 deg C (bomb), 24 h; Yield given. Multistep reaction. Further byproducts given. Yields of byproduct given;
87-61-6

1,2,3-trichlorobenzene

5509-65-9

2,6-difluoroaniline

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 1.) CsF, 2.) H2, N-ethyldiethanolamine / 2.) 10percent Pd/C / 1.) N,N'-dimethylethyleneurea, 250 deg C (bomb), 12 h, 2.) ethylene glycol, 100 deg C, 200 psi
2: 71 percent / conc. NH4OH / Cu2O / 24 h / 160 °C / bomb
View Scheme
Multi-step reaction with 2 steps
1: CsF / various solvent(s) / 12 h / 250 °C / reaction carried out in a bomb
2: 71 percent / conc. NH4OH / Cu2O / 24 h / 160 °C / bomb
View Scheme
108-70-3

1,3,5-trichlorobenzene

5509-65-9

2,6-difluoroaniline

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: KF / various solvent(s) / 12 h / 300 °C
View Scheme
372-18-9

1,3-Difluorobenzene

5509-65-9

2,6-difluoroaniline

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: (i) nBuLi, (ii) /BRN= 1900390/
2: NaN3, H2SO4
View Scheme
348-54-9

2-Fluoroaniline

5509-65-9

2,6-difluoroaniline

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: copper(I) bromide; pyridine / toluene / 20 h / 60 °C
2.1: potassium nitrate; bis(dibenzylideneacetone)-palladium(0); N-fluorobis(benzenesulfon)imide / ethyl acetate / 12 h / 90 °C / Sealed tube
2.2: 0.17 h / 20 °C
View Scheme

2,6-Difluoroaniline Specification

This chemical has the systematic name 2,6-Difluoroaniline. With the CAS registry number 5509-65-9, it is also known as Benzenamine, 2,6-difluoro-. Its molecular formula is C6H5F2N and its molecular weight is 129.11. Additionally, it's ued in the manufacture of pesticides, fungicides and herbicides. It is also an important intermediate of medicines and pesticides. However, it should be sealed at the cool and dry place.

Other characteristics of the 2,6-Difluoroaniline can be summarised as followings: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.51; (6)ACD/BCF (pH 7.4): 10.51; (7)ACD/KOC (pH 5.5): 187.46; (8)ACD/KOC (pH 7.4): 187.5; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 30.47 cm3; (15)Molar Volume: 100.1 cm3; (16)Polarizability: 12.08×10-24cm3; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 1.289 g/cm3; (19)Flash Point: 43.3 °C; (20)Enthalpy of Vaporization: 39.08 kJ/mol; (21)Boiling Point: 154 °C at 760 mmHg; (22)Vapour Pressure: 3.25 mmHg at 25°C.

Production method of the 2,6-Difluoroaniline: It could be obtained by the reactant of 2-chloro-1,3-difluorobenzene. This reaction needs the reagent of conc. NH4OH, and the catalyst of Cu2O. The yield is 71 %. In addition, this reaction should be taken for 24 hours at the temperature of 160 °C. The other condition is bomb.

the 2,6-Difluoroaniline could be obtained by the reactant of 2-chloro-1,3-difluorobenzene

Uses of the 2,6-Difluoroaniline: It could be used to produce the 2,6,2',6'-Tetrafluorazoxybenzol. This reaction needs the reagents of aq. H2O2, H2SO4.

the 2,6-Difluoroaniline could be used to produce the 2,6,2',6'-Tetrafluorazoxybenzol

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. As it's flammable, keep it away from the sources of ignition.

You can still convert the following datas into molecular structure: 
1.SMILES: Fc1cccc(F)c1N
2.InChI: InChI=1/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
3.InChIKey: ODUZJBKKYBQIBX-UHFFFAOYAU

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