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Cas Database |
| Name |
2-Chloropropiophenone |
EINECS | N/A |
| CAS No. | 6084-17-9 | Density | 1.129g/cm3 |
| PSA | 17.07000 | LogP | 2.49660 |
| Solubility | N/A | Melting Point |
125-128°C(lit.) |
| Formula | C9H9 Cl O | Boiling Point | 241.8ºC at 760 mmHg |
| Molecular Weight | 168.623 | Flash Point | 118.4ºC |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | 36/37/38 | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Propiophenone,2-chloro- (6CI,7CI,8CI); 2-Chloro-1-phenyl-1-propanone; 2-Chloropropiophenone;NSC 5663; a-Chloropropiophenone |
Article Data | 59 |
2-Chloropropiophenone Synthetic route
| Conditions | Yield |
|---|---|
| Stage #1: 1-phenyl-propan-1-one With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; Stage #2: With methyl chlorosulfate In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; | 100% |
| With chloro-trimethyl-silane; tetrabutylammomium bromide; dimethyl sulfoxide In acetonitrile for 5h; | 94% |
| With sulfuryl dichloride for 2h; Ambient temperature; | 93% |
| Conditions | Yield |
|---|---|
| With magnesium(II) chloride hexahydrate; cobalt(II) chloride hexahydrate; sulfuric acid; oxygen; lithium perchlorate In dichloromethane; acetone at 40℃; for 11h; Electrolysis; Sealed tube; chemoselective reaction; | 95% |
| With magnesium(II) chloride hexahydrate; oxygen; lithium perchlorate; manganese(ll) chloride In dichloromethane; acetone at 40℃; for 40h; Electrochemical reaction; | 92% |
| With oxygen; iron(III) chloride In pyridine; tetrachloromethane for 0.5h; Irradiation; | 66% |
| Conditions | Yield |
|---|---|
| With N,N-dichloro-p-toluenesulfonamide In acetonitrile at 35℃; for 1h; | 94% |
| With N,N-dichloro-p-toluenesulfonamide In acetonitrile at 40℃; for 1.5h; solvent effects for the synthesis α-chloro ketones; reactions with the solvents CCl4, THF, and pyridine. Oxychlorination of other secondary alcohols in acetonitrile.; | 94% |
| With methanol; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; trichloroisocyanuric acid In dichloromethane at 20℃; for 2h; Reagent/catalyst; | 88% |
| Conditions | Yield |
|---|---|
| With [hydroxy(tosyloxy)iodo]benzene; water; toluene-4-sulfonic acid In acetonitrile at 20℃; for 20h; | 94% |
| Conditions | Yield |
|---|---|
| With S4N4*SbCl5 In toluene for 9h; Heating; | 88% |
| With potassium chloride In ethanol at 82.5℃; under 725 Torr; Equilibrium constant; | |
| With hydrogenchloride In ethanol |
| Conditions | Yield |
|---|---|
| With N-chloro-succinimide; [{Cp*IrCl2}]2 In tetrahydrofuran; water at 20℃; for 20h; | 80% |
- 95837-63-1
(Z)-tert-butyldimethyl((1-phenylprop-1-en-1-yl)oxy)silane
- 6084-17-9
2-chloro-1-phenylpropan-1-one
| Conditions | Yield |
|---|---|
| With samarium(III) trifluoromethanesulfonate In tetrahydrofuran; dichloromethane at -78℃; for 0.166667h; | 76% |
- 20718-17-6
2-(dimethyl(oxo)-λ6-sulfaneylidene)-1-phenylethan-1-one
- 74-88-4
methyl iodide
- 6084-17-9
2-chloro-1-phenylpropan-1-one
| Conditions | Yield |
|---|---|
| With tetrabutyl-ammonium chloride In acetonitrile at 25℃; for 24h; Sealed tube; | 66% |
- 93-55-0
1-phenyl-propan-1-one
A
- 6084-17-9
2-chloro-1-phenylpropan-1-one
B
- 31508-44-8
2-phenylpropionic acid methyl ester
| Conditions | Yield |
|---|---|
| With iodine trichloride; trimethyl orthoformate at 23℃; for 24h; | A 26% B 62% |
- 25310-92-3
propiophenone dimethyl acetal
A
- 6084-17-9
2-chloro-1-phenylpropan-1-one
B
- 31508-44-8
2-phenylpropionic acid methyl ester
| Conditions | Yield |
|---|---|
| With iodine trichloride; trimethyl orthoformate at 23℃; for 24h; | A 32% B 55% |
2-Chloropropiophenone Chemical Properties
Molecular Structure:
Molecular Formula: C9H9ClO
Molecular Weight: 168.6202
IUPAC Name: 2-Chloro-1-phenylpropan-1-one
Synonyms of 2-Chloropropiophenone (CAS NO.86847-71-4): 2-Chloro-1-phenylpropan-1-one
CAS NO: 86847-71-4
Classification Code: ACETYLHALIDE
Index of Refraction: 1.524
Molar Refractivity: 45.72 cm3
Molar Volume: 149.2 cm3
Surface Tension: 37 dyne/cm
Density: 1.129 g/cm3
Flash Point: 118.4 °C
Enthalpy of Vaporization: 47.88 kJ/mol
Boiling Point: 241.8 °C at 760 mmHg
Vapour Pressure of 2-Chloropropiophenone (CAS NO.86847-71-4): 0.0351 mmHg at 25°C
2-Chloropropiophenone Safety Profile
Risk Statements of 2-Chloropropiophenone (CAS NO.86847-71-4): 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
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