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| CAS No.: | 290835-85-7 |
|---|---|
| Name: | 2,6-Dichloro-3-fluoroacetophenone |
| Article Data: | 3 |
| Molecular Structure: | |
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|
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| Formula: | C8H5Cl2FO |
| Molecular Weight: | 207.032 |
| Synonyms: | 2,6-Dichloro-3-fluoroacetophenone; |
| Density: | 1.403 g/cm3 |
| Boiling Point: | 216 °C at 760 mmHg |
| Flash Point: | 84.4 °C |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38-22-25 |
| Safety: | 37/39-26-45 |
| Transport Information: | UN 2810 6.1/PG 3 |
| PSA: | 17.07000 |
| LogP: | 3.33510 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 756520-66-8
1-(2,6-dichloro-3-fluorophenyl)ethanol
- 290835-85-7
2',6'-dichloro-3'-fluoroacetophenone
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| With sodium hydroxide In toluene at 135℃; for 24h; Green chemistry; | 61% |
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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