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Name	2-Chloro-6-fluoroaniline	EINECS	206-657-1
CAS No.	363-51-9	Density	1.349 g/cm³
PSA	26.02000	LogP	2.64250
Solubility	Insoluble in water	Melting Point	32 °C
Formula	C₆H₅ClFN	Boiling Point	182.9 °C at 760 mmHg
Molecular Weight	145.564	Flash Point	64.4 °C
Transport Information	UN 2811	Appearance	Clear pale yellow liquid
Safety	26-36/37/39	Risk Codes	20/21/22-36/37/38
Molecular Structure		Hazard Symbols	R20/21/22:; R36/37/38:;
Synonyms	Aniline,2-chloro-6-fluoro- (8CI);2-Chloro-6-fluorophenylamine;2-Fluoro-6-chloroaniline;2-chloro-6-fluoroaniline;2-Chloro-6-fluoro-phenylamine;

2-Chloro-6-fluoroaniline Synthetic route

: 90493-88-2
2'-Chloro-6'-fluorobenzanilide

: 363-51-9
2-chloro-6-fluoroaniline

Conditions

Conditions	Yield
With sulfuric acid for 3h; Heating;	71%

: 434-75-3
2-chloro-6-fluorobenzoic acid

: 363-51-9
2-chloro-6-fluoroaniline

Conditions

Conditions	Yield
With sodium azide; sulfuric acid
With hydrogenchloride; sodium hydroxide; sulfuric acid In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; chloroform

: 2369-21-3
N-(2-fluorophenyl)hydroxylamine

: 363-51-9
2-chloro-6-fluoroaniline

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: NaHCO3 / diethyl ether; H2O / 1 h / T < 5 deg C; or in benzene 2: 75 percent / SOCl2 / diethyl ether / 1 h / T < 5 deg C 3: 71 percent / 70percent H2SO4 / 3 h / Heating View Scheme

: 90493-82-6
N-(2-Fluorophenyl)benzohydroxamic acid

: 363-51-9
2-chloro-6-fluoroaniline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 75 percent / SOCl2 / diethyl ether / 1 h / T < 5 deg C 2: 71 percent / 70percent H2SO4 / 3 h / Heating View Scheme

: 1493-27-2
ortho-nitrofluorobenzene

: 363-51-9
2-chloro-6-fluoroaniline

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: Zinc dust, NH4Cl (or NH4Br) 2: NaHCO3 / diethyl ether; H2O / 1 h / T < 5 deg C; or in benzene 3: 75 percent / SOCl2 / diethyl ether / 1 h / T < 5 deg C 4: 71 percent / 70percent H2SO4 / 3 h / Heating View Scheme

: 363-51-9
2-chloro-6-fluoroaniline

: 213211-69-9
(2-ethoxyphenyl)boronic acid

: C14H14FNO

Conditions

Conditions	Yield
With palladium diacetate; 2-dicyclohexylphosphino-2',6'-dimethylbiphenyl In toluene at 100℃; for 3h;	99%

: 363-51-9
2-chloro-6-fluoroaniline

: 62-23-7
4-nitro-benzoic acid

: C13H8ClFN2O3

Conditions

Conditions	Yield
With covalent organic polymer from p-aminophenol and cyanuric chloride In 1,4-dioxane at 20℃; for 0.666667h;	94%

: 623-03-0
4-Cyanochlorobenzene

: 363-51-9
2-chloro-6-fluoroaniline

: 817621-48-0
4-(2-chloro-6-fluorophenylamino)benzonitrile

Conditions

Conditions	Yield
Stage #1: 2-chloro-6-fluoroaniline With sodium hydride In N,N-dimethyl-formamide at 0 - 4℃; for 1h; Stage #2: 4-Cyanochlorobenzene In N,N-dimethyl-formamide at 50 - 55℃; for 20h;	91%

: 106-38-7
para-bromotoluene

: 363-51-9
2-chloro-6-fluoroaniline

: 332903-74-9
N-(2-chloro-6-fluoro-phenyl)-4-methylaniline

Conditions

Conditions	Yield
With tri-tert-butyl phosphine; sodium t-butanolate; bis(dibenzylideneacetone)-palladium(0) In toluene at 110℃; for 14h; Buchwald-Hartwig coupling;	90%

: 446-48-0
o-fluorobenzyl bromide

: 363-51-9
2-chloro-6-fluoroaniline

: 140-89-6
potassium ethyl xanthogenate

: 4-fluoro-2-(2-fluoro-benzylsulfanyl)-benzothiazole

Conditions

Conditions	Yield
Stage #1: 2-chloro-6-fluoroaniline; potassium ethyl xanthogenate In N,N-dimethyl-formamide at 120℃; for 0.25h; microwave irradiation; Stage #2: o-fluorobenzyl bromide In N,N-dimethyl-formamide at 90℃; for 0.1h; microwave irradiation;	90%

2-Chloro-6-fluoroaniline Specification

The Benzenamine, 2-chloro-6-fluoro-, with the CAS registry number 363-51-9 and EINECS registry number 206-657-1, has the systematic name and IUPAC name of 2-chloro-6-fluoroaniline. It belongs to the product categories of Aniline and Miscellaneous. And the molecular formula of the chemical is C₆H₅ClFN.

The characteristics of Benzenamine, 2-chloro-6-fluoro- are as followings: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.86; (6)ACD/BCF (pH 7.4): 13.86; (7)ACD/KOC (pH 5.5): 228.48; (8)ACD/KOC (pH 7.4): 228.5; (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: 1.569; (14)Molar Refractivity: 35.37 cm³; (15)Molar Volume: 107.8 cm³; (16)Polarizability: 14.02×10^-24cm³; (17)Surface Tension: 42.9 dyne/cm; (18)Density: 1.349 g/cm³; (19)Flash Point: 64.4 °C; (20)Enthalpy of Vaporization: 41.92 kJ/mol; (21)Boiling Point: 182.9 °C at 760 mmHg; (22)Vapour Pressure: 0.79 mmHg at 25°C.

Preparation of Benzenamine, 2-chloro-6-fluoro-: This chemical can be prepared by N-(2-chloro-6-fluoro-phenyl)-benzamide. The reaction will need reagent 70% H₂SO₄. The reaction time is 3 hours with heating, and the yield is about 71%.

Uses of Benzenamine, 2-chloro-6-fluoro-: It can be used to produce 1-chloro-3-fluoro-2-nitrobenzene. This reaction will need reagent aq. fluoboric acid, sodium nitrite, aq. sodium nitrite and copper. And the yield is about 44%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cccc(Cl)c1N
(2)InChI: InChI=1/C6H5ClFN/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
(3)InChIKey: ZJLAWMDJTMMTQB-UHFFFAOYAF

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