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2',6'-Dichloro-3'-fluoroacetophenone

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Name

2',6'-Dichloro-3'-fluoroacetophenone

EINECS N/A
CAS No. 290835-85-7 Density 1.403 g/cm3
PSA 17.07000 LogP 3.33510
Solubility N/A Melting Point N/A
Formula C8H5Cl2FO Boiling Point 216 °C at 760 mmHg
Molecular Weight 207.032 Flash Point 84.4 °C
Transport Information UN 2810 6.1/PG 3 Appearance clear colorless to light yellow liquid
Safety 37/39-26-45 Risk Codes 36/37/38-22-25
Molecular Structure Molecular Structure of 290835-85-7 (2,6-Dichloro-3-fluoroacetophenone) Hazard Symbols IrritantXi
Synonyms

2,6-Dichloro-3-fluoroacetophenone;

Article Data 3

2',6'-Dichloro-3'-fluoroacetophenone Synthetic route

756520-66-8

1-(2,6-dichloro-3-fluorophenyl)ethanol

290835-85-7

2',6'-dichloro-3'-fluoroacetophenone

Conditions
ConditionsYield
With chloroamine-T; zinc dibromide In acetonitrile for 5h; Reflux;93%
1435-48-9

1,3-dichloro-4-fluorobenzene

75-36-5

acetyl chloride

290835-85-7

2',6'-dichloro-3'-fluoroacetophenone

Conditions
ConditionsYield
With aluminum (III) chloride In dichloromethane; nitrobenzene at 20℃; for 3h;50.7%
290835-85-7

2',6'-dichloro-3'-fluoroacetophenone

330156-50-8

(R)-1-(2,6-dichloro-3-fluorophenyl)-1-ethanol

Conditions
ConditionsYield
With RuBr2[(R,R)-2,4-bis-(di-3,5-xylylphosphino)pentane]-(6-(p-tolyl)-2-pyridyl)methanamine; potassium tert-butylate; hydrogen In isopropyl alcohol at 40℃; under 7600.51 Torr; for 21h; Reagent/catalyst; Autoclave; Inert atmosphere;100%
With methanol; sodium tetrahydroborate; (S)-diphenylprolinol at 5 - 20℃; for 5h; stereoselective reaction;98.3%
With sodium tetrahydroborate; chloro-trimethyl-silane; (S)-diphenylprolinol In tetrahydrofuran at 25 - 70℃; for 1h;95%
290835-85-7

2',6'-dichloro-3'-fluoroacetophenone

756520-66-8

1-(2,6-dichloro-3-fluorophenyl)ethanol

Conditions
ConditionsYield
With sodium tetrahydroborate In methanol at 0 - 20℃; for 0.666667h;100%
Stage #1: 2',6'-dichloro-3'-fluoroacetophenone With sodium tetrahydroborate In methanol at 0 - 20℃; for 1h;
Stage #2: With hydrogenchloride In methanol; water at 0℃; pH=6;
98%
Stage #1: 2',6'-dichloro-3'-fluoroacetophenone With sodium tetrahydroborate In methanol at 0 - 20℃; for 1h;
Stage #2: With hydrogenchloride In methanol; water at 0℃; pH=6;
98%
290835-85-7

2',6'-dichloro-3'-fluoroacetophenone

877397-65-4

(S)‐1‐(2,6-dichloro-3-fluorophenyl)ethanol

Conditions
ConditionsYield
With RuBr2[(S,S)-2,4-bis(diphenylphosphino)pentane](2-aminomethyl-3,5-dimethylpyridine); potassium tert-butylate; hydrogen In isopropyl alcohol at 40℃; for 21h; Reagent/catalyst; Concentration; Autoclave; Inert atmosphere;100%
With RuBr2[(S,S)-2,4-bis-(di-3,5-xylylphosphino)pentane]-2-picolylamine; potassium tert-butylate; hydrogen In isopropyl alcohol at 40℃; under 7600.51 Torr; for 21h; Catalytic behavior; Reagent/catalyst; Pressure; Concentration; Time; Autoclave; Inert atmosphere;100%
With potassium tert-butylate; hydrogen In isopropyl alcohol at 40℃; under 7600.51 Torr; for 21h; Reagent/catalyst; Autoclave; Inert atmosphere;100%
290835-85-7

2',6'-dichloro-3'-fluoroacetophenone

A

877397-65-4

(S)‐1‐(2,6-dichloro-3-fluorophenyl)ethanol

B

330156-50-8

(R)-1-(2,6-dichloro-3-fluorophenyl)-1-ethanol

Conditions
ConditionsYield
With RuBr2[(S,S)-2,4-bis(diphenylphosphino)pentane](2-picolylamine); potassium tert-butylate; hydrogen In isopropyl alcohol at 40℃; for 21h; Autoclave; Inert atmosphere;A 100%
B n/a
With C33H29FeMnN2O3P(1+)*Br(1-); potassium tert-butylate; hydrogen In ethanol at 50℃; under 37503.8 Torr; for 16h; Autoclave; Overall yield = 92 %; enantioselective reaction;A n/a
B n/a
With C41H46FeMnN3O5P(1+)*Br(1-); hydrogen; potassium carbonate In ethanol at 50℃; under 37503.8 Torr; for 16h; Overall yield = 90 percent; enantioselective reaction;A n/a
B n/a
With hydrogen; C42H36FeMnN3O3P(1+)*Br(1-); potassium hydroxide In methanol at 20℃; under 22502.3 Torr; for 10h; Inert atmosphere; Glovebox; Autoclave; Overall yield = 88 percent; Overall yield = 182.2 mg; enantioselective reaction;A n/a
B n/a
290835-85-7

2',6'-dichloro-3'-fluoroacetophenone

1341170-75-9

α,α,α,2,6-pentachloro-3-fluoroacetophenone

Conditions
ConditionsYield
Stage #1: 2',6'-dichloro-3'-fluoroacetophenone With chlorine In acetic acid at 60℃; for 5h;
Stage #2: With sodium acetate In acetic acid at 60 - 100℃;
98%
290835-85-7

2',6'-dichloro-3'-fluoroacetophenone

2,6‑dichloro‑3‑fluorobenzoic acid

Conditions
ConditionsYield
With sodium hypochlorite at 50℃; Temperature;84%
With water; bromine; sodium hydroxide In 1,4-dioxane at -5 - 20℃; for 3h;
Stage #1: 2',6'-dichloro-3'-fluoroacetophenone With sodium hypobromide In 1,4-dioxane; water at 0 - 20℃; for 3h;
Stage #2: With hydrogenchloride In 1,4-dioxane; water
Stage #1: 2',6'-dichloro-3'-fluoroacetophenone With bromine; sodium hydroxide In 1,4-dioxane; water at -5 - 20℃;
Stage #2: With hydrogenchloride In 1,4-dioxane; water
With water; bromine; sodium hydroxide In 1,4-dioxane at 0 - 20℃;
2114-02-5

amidinothiocarbamide

290835-85-7

2',6'-dichloro-3'-fluoroacetophenone

N-(4-(2,6-dichloro-3-fluorophenyl)-1,3-thiazol-2-yl)guanidine

Conditions
ConditionsYield
With Oxone; sodium bromide In methanol at 60℃; for 2h;71%
37585-25-4

2-amino-5-chlorobenzyl alcohol

290835-85-7

2',6'-dichloro-3'-fluoroacetophenone

2-(2,6-dichloro-3-fluorophenyl)quinoline

Conditions
ConditionsYield
With sodium hydroxide In toluene at 135℃; for 24h; Green chemistry;61%

2',6'-Dichloro-3'-fluoroacetophenone Specification

The Ethanone,1-(2,6-dichloro-3-fluorophenyl)-, with CAS registry number 290835-85-7, belongs to the following product categories: (1)Carbonyl Compounds; (2)C7 to C8; (3)Carbonyl Compounds; (4)Ketones. It has the systematic name of 1-(2,6-dichloro-3-fluorophenyl)ethanone. This chemical is a kind of clear colorless to light yellow liquid.

Physical properties of Ethanone,1-(2,6-dichloro-3-fluorophenyl)-: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.05; (6)ACD/BCF (pH 7.4): 65.05; (7)ACD/KOC (pH 5.5): 691.11; (8)ACD/KOC (pH 7.4): 691.11; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 46.06 cm3; (15)Molar Volume: 149 cm3; (16)Polarizability: 18.26×10-24cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Enthalpy of Vaporization: 45.24 kJ/mol; (19)Vapour Pressure: 0.143 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe dust and avoid contact with eyes. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(C(=O)C)c(Cl)c(F)cc1
(2)InChI: InChI=1/C8H5Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-3H,1H3
(3)InChIKey: VJBFZHHRVCPAPZ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H5Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-3H,1H3
(5)Std. InChIKey: VJBFZHHRVCPAPZ-UHFFFAOYSA-N

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