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CAS No.: | 57946-56-2 |
---|---|
Name: | 4-Chloro-2-fluoroaniline |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C6H5ClFN |
Molecular Weight: | 145.564 |
Synonyms: | 2-Fluoro-4-chloroaniline;4-Chloro-2-fluorophenylamine;4-Chloro-2-fluorobenzenamine; |
EINECS: | 261-034-1 |
Density: | 1.349 g/cm3 |
Boiling Point: | 205.558 °C at 760 mmHg |
Flash Point: | 98.889 °C |
Solubility: | slightly soluble in water |
Appearance: | clear slightly yellow to orange-brown liquid |
Hazard Symbols: | Xn, T, Xi |
Risk Codes: | 20/21/22-36/37/38-23/24/25 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN 2810 |
PSA: | 26.02000 |
LogP: | 2.64250 |
4'-chloro-2'-fluoroacetanilide
2-fluoro-4-chloroaniline
Conditions | Yield |
---|---|
With sodium hydroxide; water In ethanol for 3h; Reflux; | 95.6% |
With sodium hydroxide In ethanol; water | |
With sodium hydroxide In ethanol; water |
2-Fluoroaniline
2-fluoro-4-chloroaniline
Conditions | Yield |
---|---|
With copper dichloride; 1-hexyl-3-methylimidazol-1-ium chloride at 40℃; for 4h; regioselective reaction; | 88% |
With iron(III) chloride; N-chloro-succinimide; 1-butyl-3-methylimidazolium trifluoromethanesulfonimide In tetrahydrofuran at 60℃; for 18h; Inert atmosphere; regioselective reaction; | 75% |
4-chloro-2-fluorobenzoic acid
2-fluoro-4-chloroaniline
Conditions | Yield |
---|---|
With sodium azide; sulfuric acid |
4-chloro-aniline
A
2-fluoro-4-chloroaniline
B
4-chloro-3-fluoroaniline
C
4-chloro-3,5-difluorobenzenamine
D
4-chloro-2,5-difluoroaniline
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid; fluorine at 20℃; Further byproducts given. Title compound not separated from byproducts; |
Conditions | Yield |
---|---|
With sodium hydroxide; PPA |
N-(2-fluorophenyl)acetamide
A
2-fluoro-4-chloroaniline
B
4'-chloro-2'-fluoroacetanilide
Conditions | Yield |
---|---|
With chlorine In acetic acid | |
With chlorine In acetic acid | |
With chlorine In acetic acid |
4-chloro-2-fluoro-nitrobenzene
2-fluoro-4-chloroaniline
Conditions | Yield |
---|---|
With 2 wt% Pd/C; hydrogen at 120℃; under 7500.75 Torr; |
2-fluoro-4-chloroaniline
Conditions | Yield |
---|---|
With sodium tetrahydroborate; copper(l) chloride In ethanol at 20℃; | 23.6 mg |
bis-(4-chloro-phenyl)-diazene
2-fluoro-4-chloroaniline
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: bis(dibenzylideneacetone)-palladium(0); N-fluorobis(benzenesulfon)imide; potassium nitrate / ethyl acetate / 12 h / 90 °C / Sealed tube 2: sodium tetrahydroborate; copper(l) chloride / ethanol / 20 °C View Scheme |
2-fluoro-4-chloroaniline
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: bis(dibenzylideneacetone)-palladium(0); N-fluorobis(benzenesulfon)imide; potassium nitrate / ethyl acetate / 12 h / 100 °C / Sealed tube 2: sodium tetrahydroborate; copper(l) chloride / ethanol / 20 °C View Scheme |
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The 4-Chloro-2-fluoroaniline, with the CAS registry number 57946-56-2, is also known as 2-Fluoro-4-chloroaniline. It belongs to the product categories of Anilines, Aromatic Amines and Nitro Compounds; Aniline; Fluorobenzene; Anilines, Amides & Amines; Chlorine Compounds; Fluorine Compounds; C2 to C6; Nitrogen Compounds; Aryl Fluorinated Building Blocks; Building Blocks; C6; Chemical Synthesis; Fluorinated Building Blocks; Organic Building Blocks; Organic Fluorinated Building Blocks; Other Fluorinated Organic Building Blocks. Its EINECS number is 261-034-1. This chemical's molecular formula is C6H5ClFN and molecular weight is 145.56. What's more, its systematic name is 4-Chloro-2-fluoroaniline. This chemical should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from oxides and acids. It is used as intermediates of medicine, pesticide, liquid crystal materials.
Physical properties of 4-Chloro-2-fluoroaniline are: (1)ACD/LogP: 2.308; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 33.38; (6)ACD/BCF (pH 7.4): 33.42; (7)ACD/KOC (pH 5.5): 428.50; (8)ACD/KOC (pH 7.4): 428.99; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 35.378 cm3; (15)Molar Volume: 107.874 cm3; (16)Polarizability: 14.025×10-24cm3; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.349 g/cm3; (19)Flash Point: 98.889 °C; (20)Enthalpy of Vaporization: 44.179 kJ/mol; (21)Boiling Point: 205.558 °C at 760 mmHg; (22)Vapour Pressure: 0.2 mmHg at 25°C.
Uses of 4-Chloro-2-fluoroaniline: it can be used to produce 1-chloro-3-fluoro-benzene at the temperature of 24°C. It will need reagents NaNO2, NaHSO3 and solvents ethanol, acetic acid, H2O with the reaction time of 2 hours. The yield is about 83%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is toxic by inhalation, in contact with skin and if swallowed. Moreover, it 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. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(Cl)ccc1N
(2)Std. InChI: InChI=1S/C6H5ClFN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
(3)Std. InChIKey: CSFDTBRRIBJILD-UHFFFAOYSA-N