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2-Chloro-6-fluoroanisole
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Name

2-Chloro-6-fluoroanisole

 EINECS N/A
CAS No. 53145-38-3 Density 1.239 g/cm3
PSA 9.23000 LogP 2.48770
Solubility N/A Melting Point N/A
Formula C7H6ClFO Boiling Point 186.4 °C at 760 mmHg
Molecular Weight 160.575 Flash Point 66.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 53145-38-3 (2-Chloro-6-fluoroanisole) Hazard Symbols IrritantXi
Synonyms

1-Chloro-3-fluoro-2-Methoxybenzene;1-Chloro-3-fluoro-2-methoxybenzene, 2-Chloro-6-fluorophenyl methyl ether

Article Data 2

2-Chloro-6-fluoroanisole Synthetic route

2040-90-6

2-chloro-6-fluorophenol

74-88-4

methyl iodide

53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

Conditions
ConditionsYield
With potassium carbonate In tetrahydrofuran at 20℃; for 3h;94%
3209-22-1

1,2-Dichloro-3-nitrobenzene

53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: diisopropylamine / methanol / 5 h / 60 °C
2.1: hydrogen; 1% platinum on charcoal / toluene / 18 h / 40 °C / 3375.34 Torr / Autoclave
3.1: hydrogenchloride / water / 0.5 h / 50 °C
3.2: 2 h / 0 °C
3.3: 1 h
View Scheme
51114-68-2

3-chloro-2-methoxyaniline

53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

Conditions
ConditionsYield
Stage #1: 3-chloro-2-methoxyaniline With hydrogenchloride In water at 50℃; for 0.5h;
Stage #2: With sodium nitrite In water at 0℃; for 2h;
Stage #3: With tetrafluoroboric acid In water for 1h; Temperature; Reagent/catalyst;		26 g
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

944129-07-1

(4-chloro-2-fluoro-3-methoxy-phenyl)boronic acid

Conditions
ConditionsYield
Stage #1: 1-chloro-3-fluoro-2-methoxybenzene With n-butyllithium In 1,2-dimethoxyethane at -78 - -70.1℃; for 1.75h;
Stage #2: With Trimethyl borate In 1,2-dimethoxyethane at -67 - 20℃; Time; Temperature; Further stages;		93%
Multi-step reaction with 2 steps
1.1: n-butyllithium / 1,2-dimethoxyethane; hexane / 1.75 h / -77 - -70.1 °C / Inert atmosphere
1.2: 1.37 h / -74.1 - 23.1 °C
2.1: potassium hydroxide; water / 1,2-dimethoxyethane / 2 h / 30 °C / Cooling
View Scheme
121-43-7

Trimethyl borate

53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

944129-07-1

(4-chloro-2-fluoro-3-methoxy-phenyl)boronic acid

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane; cyclohexane at -50℃; Flow reactor;92%
Stage #1: 1-chloro-3-fluoro-2-methoxybenzene With n-butyllithium In 1,2-dimethoxyethane at -65℃; Inert atmosphere;
Stage #2: Trimethyl borate In 1,2-dimethoxyethane at -65 - 30℃; Time; Inert atmosphere;
61676-62-8

2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

1126321-06-9

2-(4-chloro-2-fluoro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane; cyclohexane at -50℃; Flow reactor;92%
68-12-2, 33513-42-7

N,N-dimethyl-formamide

53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

1002344-97-9

4-chloro-2-fluoro-3-methoxybenzaldehyde

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; hexane; cyclohexane at -50℃; Flow reactor;88%
53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

5-[(3R)-3-(3-chloro-2-methoxyphenoxy)pyrrolidin-1-yl]-5-methyl-2,2-diphenylhexanenitrile

Conditions
ConditionsYield
Stage #1: 5-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyl-2,2-diphenylhexanenitrile With sodium hydride In N,N-dimethyl-formamide at 0℃; for 1h;
Stage #2: 1-chloro-3-fluoro-2-methoxybenzene In N,N-dimethyl-formamide at 60℃; for 96h;
Stage #3: With water In ethyl acetate; N,N-dimethyl-formamide		74%
79-04-9

chloroacetyl chloride

53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

C9H7Cl2FO2

Conditions
ConditionsYield
Stage #1: 1-chloro-3-fluoro-2-methoxybenzene With n-hexyllithium In tetrahydrofuran; hexane at -60℃; for 1h;
Stage #2: With zinc(II) chloride In tetrahydrofuran; hexane at -60 - -10℃;
Stage #3: chloroacetyl chloride; copper(l) chloride In tetrahydrofuran; hexane at -10 - 20℃; Further stages.;		71%
19810-31-2

Benzyloxyacetyl chloride

53145-38-3

1-chloro-3-fluoro-2-methoxybenzene

C16H14ClFO3

Conditions
ConditionsYield
Stage #1: 1-chloro-3-fluoro-2-methoxybenzene With n-hexyllithium In tetrahydrofuran; hexane at -60℃; for 1h;
Stage #2: With zinc(II) chloride In tetrahydrofuran; hexane at -60 - -10℃;
Stage #3: Benzyloxyacetyl chloride; copper(l) chloride In tetrahydrofuran; hexane at -10 - 20℃; Further stages.;		70%

2-Chloro-6-fluoroanisole Specification

The 2-Chloro-6-fluoroanisole, with the CAS registry number 53145-38-3, is also known as ZINC02382266. This chemical's molecular formula is C7H6ClFO and molecular weight is 160.573343. Its IUPAC name is called 1-chloro-3-fluoro-2-methoxybenzene. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 2-Chloro-6-fluoroanisole: (1)ACD/LogP: 2.24; (2)ACD/LogD (pH 5.5): 2.24; (3)ACD/LogD (pH 7.4): 2.24; (4)ACD/BCF (pH 5.5): 29.64; (5)ACD/BCF (pH 7.4): 29.64; (6)ACD/KOC (pH 5.5): 393.68; (7)ACD/KOC (pH 7.4): 393.68; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.495; (11)Molar Refractivity: 37.82 cm3; (12)Molar Volume: 129.5 cm3; (13)Surface Tension: 31.4 dyne/cm; (14)Density: 1.239 g/cm3; (15)Flash Point: 66.5 °C; (16)Enthalpy of Vaporization: 40.53 kJ/mol; (17)Boiling Point: 186.4 °C at 760 mmHg; (18)Vapour Pressure: 0.913 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=CC=C1Cl)F
(2)InChI: InChI=1S/C7H6ClFO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
(3)InChIKey: QASFEHCRPLPGES-UHFFFAOYSA-N

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