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Cas Database |
| Name |
4'-Chloro-2-phenylacetophenone |
EINECS | N/A |
| CAS No. | 1889-71-0 | Density | 1.191 g/cm3 |
| PSA | 17.07000 | LogP | 3.76540 |
| Solubility | N/A | Melting Point |
103-107 °C(lit.) |
| Formula | C14H11ClO | Boiling Point | 365.4 °C at 760 mmHg |
| Molecular Weight | 230.694 | Flash Point | 197.6 °C |
| Transport Information | UN 3077 9/PG 3 | Appearance | N/A |
| Safety | 26-39-60-61 | Risk Codes | 41-43-51/53 |
| Molecular Structure |
|
Hazard Symbols |
 Xi;  N
|
| Synonyms |
Acetophenone,4'-chloro-2-phenyl- (6CI,7CI,8CI);1-(4-Chlorophenyl)-2-phenyl-1-ethanone;1-(4-Chlorophenyl)-2-phenylethanone;4-Chlorophenyl benzyl ketone;Benzyl 4-chlorophenyl ketone;Benzylp-chlorophenyl ketone;NSC 32891;NSC 99455;p-Chlorophenyl benzyl ketone; |
Article Data | 105 |
4'-Chloro-2-phenylacetophenone Synthetic route
| Conditions | Yield |
|---|---|
| With tetra-n-butylammonium cyanide In tetrahydrofuran for 1.5h; Ambient temperature; | A 12% B 100% |
- 72867-63-1
N-[1-(4-Chloro-phenyl)-1-cyano-2-phenyl-ethyl]-N-phenyl-benzamide
- 1889-71-0
4'-chloro-2-phenylacetophenone
| Conditions | Yield |
|---|---|
| With potassium hydroxide In ethanol; water Heating; | 99% |
- 28122-82-9
S-phenyl 4-chlorobenzothioate
- 62673-31-8
benzyl(bromo)zinc
- 1889-71-0
4'-chloro-2-phenylacetophenone
| Conditions | Yield |
|---|---|
| With (phenyl)(bis-triphenylphosphine)palladium(II) chloride In tetrahydrofuran; toluene at 20℃; for 1h; Fukuyama Coupling; Inert atmosphere; | 98% |
- 100-03-8
4-chlorobenzenesulfinic acid
- 140-29-4
phenylacetonitrile
- 1889-71-0
4'-chloro-2-phenylacetophenone
| Conditions | Yield |
|---|---|
| With [2,2]bipyridinyl; sulfuric acid; water; palladium diacetate In 2-methyl-propan-1-ol at 100℃; for 6h; Inert atmosphere; | 95% |
- 114679-00-4
2-(4-chlorophenyl)-2-oxo-1-phenylethyl benzoate
- 1889-71-0
4'-chloro-2-phenylacetophenone
| Conditions | Yield |
|---|---|
| With palladium(II) trifluoroacetate; hydrogen; [(4S)-4-[5-bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphanyl-1,3-benzodioxol-4-yl]-4,5,6,7-tetrahydro-1,3-benzodioxol-5-yl]-bis(3,5-di-tert-butyl-4-methoxyphenyl)phosphane In acetone at 60℃; under 45004.5 Torr; for 24h; Glovebox; Autoclave; chemoselective reaction; | 94% |
- 119267-71-9
2-(4-chlorophenyl)-2-oxo-1-phenylethyl acetate
- 1889-71-0
4'-chloro-2-phenylacetophenone
| Conditions | Yield |
|---|---|
| With tris(bipyridine)ruthenium(II) dichloride hexahydrate; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; triethylamine In acetonitrile at 20℃; for 1h; Inert atmosphere; UV-irradiation; | 92% |
| Conditions | Yield |
|---|---|
| With bis-triphenylphosphine-palladium(II) chloride; zinc In 1,2-dimethoxyethane for 0.333333h; Ambient temperature; | 90% |
| With bis-triphenylphosphine-palladium(II) chloride; zinc In 1,2-dimethoxyethane at 20℃; for 0.5h; Inert atmosphere; Schlenk technique; |
| Conditions | Yield |
|---|---|
| With iron(II) chloride In tetrahydrofuran at 25℃; for 0.5h; Reagent/catalyst; Solvent; Inert atmosphere; Schlenk technique; | 90% |
- 1889-71-0
4'-chloro-2-phenylacetophenone
| Conditions | Yield |
|---|---|
| With ethylenediamine In tetrahydrofuran for 4h; Heating; | 88% |
| Conditions | Yield |
|---|---|
| With zinc(II) oxide at 20℃; for 0.0833333h; Friedel-Crafts acylation; | 85% |
| With aluminum (III) chloride In dichloromethane at 0 - 20℃; | 79% |
| With aluminium trichloride at 20℃; | 74% |
4'-Chloro-2-phenylacetophenone Specification
The Ethanone,1-(4-chlorophenyl)-2-phenyl-, with CAS registry number 1889-71-0, belongs to the following product category: Aromatic Ketones (substituted). It has the systematic name of 1-(4-chlorophenyl)-2-phenylethanone. And the chemical formula of this chemical is C14H11ClO. This chemical should be stored in cool, dry place.
Physical properties of Ethanone,1-(4-chlorophenyl)-2-phenyl-: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.593; (8)Molar Refractivity: 65.66 cm3; (9)Molar Volume: 193.6 cm3; (10)Polarizability: 26.03×10-24cm3; (11)Surface Tension: 44.6 dyne/cm; (12)Enthalpy of Vaporization: 61.17 kJ/mol; (13)Vapour Pressure: 1.57E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by phenylacetyl chloride and chlorobenzene. This reaction will need reagent AlCl3. The reaction temperature is 20°C. The yield is about 74%.
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Uses of Ethanone,1-(4-chlorophenyl)-2-phenyl-: it can be used to produce 2-bromo-1-(4-chloro-phenyl)-2-phenyl-ethanone. This reaction will need reagents tetrachloromethane, bromine.
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When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(4-chlorophenyl)-2-phenyl- has risk of serious damage to the eyes. This chemical may cause sensitization by skin contact. And it is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release to the environment. Refer to special instructions / safety data sheets. If contact with eyes, rinse immediately with plenty of water and seek medical advice. This material and its container must be disposed of as hazardous waste.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Cl)cc1)Cc2ccccc2
(2)InChI: InChI=1/C14H11ClO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2
(3)InChIKey: DXVALSKCLLBZEB-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C14H11ClO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2
(5)Std. InChIKey: DXVALSKCLLBZEB-UHFFFAOYSA-N
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