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4-Chloro-2-fluoroaniline

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Name

4-Chloro-2-fluoroaniline

EINECS 261-034-1
CAS No. 57946-56-2 Density 1.349 g/cm3
PSA 26.02000 LogP 2.64250
Solubility slightly soluble in water Melting Point N/A
Formula C6H5ClFN Boiling Point 205.558 °C at 760 mmHg
Molecular Weight 145.564 Flash Point 98.889 °C
Transport Information UN 2810 Appearance clear slightly yellow to orange-brown liquid
Safety 26-36/37/39-45 Risk Codes 20/21/22-36/37/38-23/24/25
Molecular Structure Molecular Structure of 57946-56-2 (4-Chloro-2-fluoroaniline) Hazard Symbols HarmfulXn, ToxicT, IrritantXi
Synonyms

2-Fluoro-4-chloroaniline;4-Chloro-2-fluorophenylamine;4-Chloro-2-fluorobenzenamine;

Article Data 30

4-Chloro-2-fluoroaniline Synthetic route

59280-70-5

4'-chloro-2'-fluoroacetanilide

57946-56-2

2-fluoro-4-chloroaniline

Conditions
ConditionsYield
With sodium hydroxide; water In ethanol for 3h; Reflux;95.6%
With sodium hydroxide In ethanol; water
With sodium hydroxide In ethanol; water
348-54-9

2-Fluoroaniline

57946-56-2

2-fluoro-4-chloroaniline

Conditions
ConditionsYield
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%
446-30-0

4-chloro-2-fluorobenzoic acid

57946-56-2

2-fluoro-4-chloroaniline

Conditions
ConditionsYield
With sodium azide; sulfuric acid
106-47-8

4-chloro-aniline

A

57946-56-2

2-fluoro-4-chloroaniline

B

367-22-6

4-chloro-3-fluoroaniline

C

2613-33-4

4-chloro-3,5-difluorobenzenamine

D

2613-30-1

4-chloro-2,5-difluoroaniline

Conditions
ConditionsYield
With trifluorormethanesulfonic acid; fluorine at 20℃; Further byproducts given. Title compound not separated from byproducts;
CH3 NO2

CH3 NO2

446-30-0

4-chloro-2-fluorobenzoic acid

57946-56-2

2-fluoro-4-chloroaniline

Conditions
ConditionsYield
With sodium hydroxide; PPA
399-31-5

N-(2-fluorophenyl)acetamide

A

57946-56-2

2-fluoro-4-chloroaniline

B

59280-70-5

4'-chloro-2'-fluoroacetanilide

Conditions
ConditionsYield
With chlorine In acetic acid
With chlorine In acetic acid
With chlorine In acetic acid
700-37-8

4-chloro-2-fluoro-nitrobenzene

57946-56-2

2-fluoro-4-chloroaniline

Conditions
ConditionsYield
With 2 wt% Pd/C; hydrogen at 120℃; under 7500.75 Torr;

C15H14ClFN2

57946-56-2

2-fluoro-4-chloroaniline

Conditions
ConditionsYield
With sodium tetrahydroborate; copper(l) chloride In ethanol at 20℃;23.6 mg
1602-00-2

bis-(4-chloro-phenyl)-diazene

57946-56-2

2-fluoro-4-chloroaniline

Conditions
ConditionsYield
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

C15H15ClN2

57946-56-2

2-fluoro-4-chloroaniline

Conditions
ConditionsYield
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

4-Chloro-2-fluoroaniline Specification

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%.

4-Chloro-2-fluoroaniline can be used to produce 1-chloro-3-fluoro-benzene at the temperature of 24°C

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  

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