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2-(difluoromethoxy)aniline

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Name

2-(difluoromethoxy)aniline

EINECS -0
CAS No. 22236-04-0 Density 1.253 g/cm3
PSA 35.25000 LogP 2.45140
Solubility N/A Melting Point N/A
Formula C7H7F2NO Boiling Point 209.8 °C at 760 mmHg
Molecular Weight 159.135 Flash Point 80.7 °C
Transport Information N/A Appearance N/A
Safety 36 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 22236-04-0 (2-(DIFLUOROMETHOXY)ANILINE) Hazard Symbols HarmfulXn;ToxicT
Synonyms

o-Anisidine,a,a-difluoro- (8CI);2-(Difluoromethoxy)aniline;2-(Difluoromethoxy)benzenamine;o-(Difluoromethoxy)aniline;

Article Data 2

2-(difluoromethoxy)aniline Specification

The 2-(difluoromethoxy)aniline, with its CAS registry number 22236-04-0, could also be called as Benzenamine, 2-(difluoromethoxy)-. And it belongs to the product categories which are including Amines;C7; Nitrogen Compounds.

The physical properties of this chemical are as below: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 12.47; (7)Index of Refraction: 1.501; (8)Molar Refractivity: 37.45 cm3; (9)Molar Volume: 126.9 cm3; (10)Polarizability: 14.84×10-24 cm3; (11)Surface Tension: 33.7 dyne/cm; (12)Density: 1.253 g/cm3; (13)Flash Point: 80.7 °C; (14)Enthalpy of Vaporization: 44.61 kJ/mol; (15)Boiling Point: 209.8 °C at 760 mmHg; (16)Vapour Pressure: 0.199 mmHg at 25°C; (17)Exact Mass: 159.04957; (18)MonoIsotopic Mass: 159.04957; (19)Topological Polar Surface Area: 35.2; (20)Heavy Atom Count: 11; (21)Complexity: 121.
 
Production method of this chemical: 2-difluoromethoxynitrobenzene could react to produce 2-(difluoromethoxy)aniline. This reaction could react in the prsence of the reagent of H2, catalytic agent of Pd/C and the solvent of ethanol and H2O while in the condition of ambient temperature.

Use of this chemical: 2-(difluoromethoxy)aniline could react with 3-ethoxy-2-(2,4,5-trifluoro-benzoyl)-acrylic acid ethyl ester to produce ethyl a-({[2-(difluoromethoxy)phenyl]amino}methylene)-2,4,5-trifluoro-b-oxo-benzenepropionate ester. This reaction could happen in the presence of the  solvent of ethanol, and it needs the reaction time of 1 hour while in the condition of the ambient temperature.


 

When you are dealing with this chemical, you should be very careful. For one thing, it is harmful which may cause damage to health. And it is dangerous to our body if by inhalation, in contact with skin and if swallowed. For another thing, it is toxic which may at low levels cause damage to health. Therefore, you should wear suitable protective clothing. 

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)N)OC(F)F
(2)InChI: InChI=1S/C7H7F2NO/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7H,10H2
(3)InChIKey: CGNAIUUCOVWLLL-UHFFFAOYSA-N 

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