CAS No.5509-65-9,2,6-Difluoroaniline Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5509-65-9
Name:	2,6-Difluoroaniline
Article Data:	13

Formula:	C₆H₅F₂N
Molecular Weight:	129.109
Synonyms:	benzenamine, 2,6-difluoro-;2,6-Difluorobenzenamine;
EINECS:	226-853-0
Density:	1.289 g/cm³
Melting Point:	144-148 °C
Boiling Point:	154 °C at 760 mmHg
Flash Point:	43.3 °C
Solubility:	Slightly soluble in water.
Appearance:	clear yellow to brown liquid
Hazard Symbols:	Xn, Xi, F
Risk Codes:	10-20/21/22-36/37/38
Safety:	36-36/37/39-26-23-16-16/23/26/36/37/39
Transport Information:	UN 1993 3/PG 3
PSA:	26.02000
LogP:	2.12820

Synthetic route

: 18063-03-1
2,6-difluorobenzamide

: 5509-65-9
2,6-difluoroaniline

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With naphtophenone at 25℃; for 4h; Product distribution; Irradiation; further tenmperatures;	A 54% B 13% C 10%

...Expand

: 385-00-2
2,6-difluorobenzoic acid

: 5509-65-9
2,6-difluoroaniline

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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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