| Identification | More | [Name]
4'-BROMO-3-CHLOROPROPIOPHENONE | [CAS]
31736-73-9 | [Synonyms]
1-(4-BROMOPHENYL)-3-CHLORO-1-OXOPROPANE
4'-BROMO-3-CHLOROPROPIOPHENONE
4-BROMO-BETA-CHLOROPROPIOPHENONE
3-chloro-4-bromopropiophenone
4'-Bromo-3-chloropropiophenone,98%
4'-Bromo-3-chloropropiophenone 98%
3-chloro-1-(4-bromophenyl)propan-1-one
1-(4-Bromophenyl)-3-chloro-1-propanone
4'-Bromo-β-chloropropiophenone | [EINECS(EC#)]
250-784-5 | [Molecular Formula]
C9H8BrClO | [MDL Number]
MFCD00018979 | [Molecular Weight]
247.52 | [MOL File]
31736-73-9.mol |
| Chemical Properties | Back Directory | [Appearance]
light yellow to light brown crystalline powder | [Melting point ]
54-59 °C(lit.) | [Boiling point ]
333.8±27.0 °C(Predicted) | [density ]
1.5182 (rough estimate) | [vapor pressure ]
0.016Pa at 25℃ | [refractive index ]
1.5963 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder | [color ]
White | [Water Solubility ]
36mg/L at 20℃ | [BRN ]
1944367 | [InChI]
1S/C9H8BrClO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5-6H2 | [InChIKey]
SYWQQEVHZPPLNQ-UHFFFAOYSA-N | [SMILES]
ClCCC(=O)c1ccc(Br)cc1 | [LogP]
3.2 at 22℃ | [CAS DataBase Reference]
31736-73-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
UN1759 | [WGK Germany ]
3
| [REACH Registrations]
Inactive | [HazardClass ]
IRRITANT | [HS Code ]
2914790090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
light yellow to light brown crystalline powder | [Uses]
4′-Bromo-3-chloropropiophenone, a halogenated propiophenone derivative, is also known as 1-(4-bromophenyl)-3-chloro-1-propanone. Its molecular geometry has been studied based on density functional theory (DFT) calculations, FTIR and FT Raman spectra. | [General Description]
4′-Bromo-3-chloropropiophenone, a halogenated propiophenone derivative, is also known as 1-(4-bromophenyl)-3-chloro-1-propanone. Its molecular geometry has been studied based on density functional theory (DFT) calculations, FTIR and FT Raman spectra. | [Flammability and Explosibility]
Notclassified | [Synthesis]
The general procedure for the synthesis of 4'-bromo-3-chloropropiophenone from bromobenzene, compound (CAS:161386-38-5) and 3-chloropropionyl chloride was as follows: first, a solution was prepared by dissolving 3-chloropropionyl chloride (15 mL) in methylene chloride (10 mL). Subsequently, the solution was slowly added to a stirring suspension of aluminum chloride (20.1 g) in methylene chloride (35 mL) and the mixture was stirred at room temperature for 15 minutes. Next, the dichloromethane (10 mL) mixture of bromobenzene (15 mL) was added in batches over a period of 1 hour. After addition, the reaction mixture continued to be stirred at room temperature for 16 hours. Upon completion of the reaction, the mixture was quenched by pouring it into a mixture of ice and 1N aqueous hydrochloric acid. The organic phase was separated, washed sequentially with water and saturated aqueous sodium bicarbonate, dried (using MgSO?), and the solvent evaporated. Finally, the residue was purified by column chromatography using a 15:1 mixture of petroleum ether and ethyl acetate as eluent to afford the target product 4-bromophenyl 2-chloroethyl ketone (27.9 g, 85% yield). | [References]
[1] Patent: US5332757, 1994, A |
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Alfa Aesar
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Energy Chemical
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