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| CAS No.: | 2631-72-3 |
|---|---|
| Name: | 2-Bromo-2',4'-dichloroacetophenone |
| Molecular Structure: | |
|
|
|
| Formula: | C8H5 Br Cl2 O |
| Molecular Weight: | 267.937 |
| Synonyms: | Acetophenone,2-bromo-2',4'-dichloro- (7CI); 2,4-Dichlorophenacyl bromide; 2,4-Dichlorophenylbromomethyl ketone; 2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one;2-Bromo-1-(2,4-dichlorophenyl)ethanone; 2-Bromo-2',4'-dichloroacetophenone;2',4'-Dichloro-2-bromoacetophenone; a-Bromo-2,4-dichloroacetophenone; w-Bromo-2,4-dichloroacetophenone |
| EINECS: | 220-116-7 |
| Density: | 1.695 g/cm3 |
| Melting Point: | 25-29 ºC |
| Boiling Point: | 296.7 °C at 760 mmHg |
| Flash Point: | 133.3 °C |
| Appearance: | White to brown low melting solid |
| Hazard Symbols: |
|
| Risk Codes: | R36/37/38 |
| Safety: | S26;S36 25 28A 36 37 39 45 |
| PSA: | 17.07000 |
| LogP: | 3.57100 |
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| Conditions | Yield |
|---|---|
| With bromine In 1,4-dioxane; diethyl ether for 0.5h; Ambient temperature; | 100% |
| With copper(ll) bromide In chloroform; ethyl acetate at 40℃; for 2h; | 100% |
| With dihydrogen peroxide; bromine; sodium carbonate In dichloromethane at 20 - 40℃; Green chemistry; | 91.4% |
- 2234-16-4
1-(2,4-dichlorophenyl)ethan-1-one
A
- 24123-68-0
2,2-dibromo-1-(2,4-dichlorophenyl)ethanone
B
- 2631-72-3
2,4-dichlorophenacyl bromide
| Conditions | Yield |
|---|---|
| With trimethylsilyl bromide; potassium nitrate In dichloromethane at 20℃; for 48h; | A n/a B 72% |
- 24123-68-0
2,2-dibromo-1-(2,4-dichlorophenyl)ethanone
- 121-45-9
phosphorous acid trimethyl ester
A
- 2631-72-3
2,4-dichlorophenacyl bromide
B
- 68107-01-7
O,O-dimethyl-O-<1-(2,4-dichlorophenyl)-2-bromo>vinyl phosphate (isomer Z)
| Conditions | Yield |
|---|---|
| In methanol for 0.25h; Heating; Title compound not separated from byproducts; | A 45% B 10% |
- 2234-16-4
1-(2,4-dichlorophenyl)ethan-1-one
A
- 60208-07-3
α-bromo-2,4-dibromoacetophenone
B
- 2631-72-3
2,4-dichlorophenacyl bromide
| Conditions | Yield |
|---|---|
| With bromine In acetic acid at 35 - 40℃; for 2h; |
- 60-29-7
diethyl ether
- 7732-18-5
water
- 2234-16-4
1-(2,4-dichlorophenyl)ethan-1-one
- 2631-72-3
2,4-dichlorophenacyl bromide
| Conditions | Yield |
|---|---|
| With bromine |
| Conditions | Yield |
|---|---|
| Stage #1: bromoacetic anhydride With aluminum (III) chloride In dichloromethane at 25℃; for 0.5h; Stage #2: 1,3-Dichlorobenzene In dichloromethane for 16h; Reflux; |
| Conditions | Yield |
|---|---|
| Stage #1: 2-Bromoacetyl bromide With aluminum (III) chloride In dichloromethane at 25℃; for 0.5h; Stage #2: 1,3-Dichlorobenzene In dichloromethane for 16h; Reflux; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: aluminum (III) chloride / 1,2-dichloro-benzene / 0.33 h 1.2: Cooling with ice 2.1: aluminum (III) chloride; bromine / diethyl ether / Cooling with ice View Scheme | |
| Multi-step reaction with 2 steps 1: calcium chloride; hydrogenchloride; aluminum (III) chloride / water / 0.83 h 2: aluminum (III) chloride; bromine / diethyl ether / Cooling with ice View Scheme | |
| Multi-step reaction with 2 steps 1: 4 h / 60 °C / Ionic liquid; Green chemistry 2: dihydrogen peroxide; sodium carbonate; bromine / dichloromethane / 20 - 40 °C / Green chemistry View Scheme |
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride for 0.666667h; Friedel-Crafts Acylation; Cooling with ice; Inert atmosphere; |
- 2631-72-3
2,4-dichlorophenacyl bromide
- 63698-52-2
2-mercapto-5-(3,4-methylenedioxyphenyl)-1,3,4-oxadiazole
- 146942-90-7
2-(5-Benzo[1,3]dioxol-5-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-1-(2,4-dichloro-phenyl)-ethanone
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol | 98% |
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Chemistry
Molecular Structure of 2-Bromo-2',4'-dichloroacetophenone (CAS NO.2631-72-3):
IUPAC: 2-Bromo-1-(2,4-dichlorophenyl)ethanone
Molecular Formula: C8H5BrCl2O
Molecular Weight: 267.93
EINECS: 220-116-7
Product Categories: C7 to C8;Carbonyl Compounds;Ketones;Acetophenone series
Melting Point: 25-29oC(lit.)
Density: 1.695 g/cm3
Flash Point: 133.3oC
Boiling Point: 296.7oC at 760 mmHg
Sensitive: Lachrymatory
Index of Refraction: 1.596
Molar Volume: 158 cm3
Surface Tension: 48.1 dyne/cm
Molar Refractivity: 53.8 cm3
Enthalpy of Vaporization: 53.65 kJ/mol
Vapour Pressure: 0.00141 mmHg at 25oC
SMILES: O=C(c1ccc(Cl)cc1Cl)CBr
InChI: InChI=1/C8H5BrCl2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
InChIKey: DASJDMQCPIDJIF-UHFFFAOYAW
Safety Profile
Safety Information of 2-Bromo-2',4'-dichloroacetophenone (CAS NO.2631-72-3):
Hazard Codes: Xi
,C
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Corrosive/Lachrymatory
Specification
2-Bromo-2',4'-dichloroacetophenone with cas registry number of 2631-72-3 is also known as 2-Brom-1-(2,4-dichlorphenyl)ethanon ; 2-Bromo-1-(2,4-dichlorophenyl)ethanone ; Ethanone, 2-bromo-1-(2,4-dichlorophenyl)- ; 2,4-Dichlorophenacyl bromide ; 2-Bromo-1-(2,4-dichlorophenyl)ethan-1-one ; 2-Bromo-2',4'-dichloroacetophenone . It is a carbonyl compound with the appearance of white to brown low melting solid . It should be stored below 4oC in a dry,corrosives area and stored under argon . The raw materials are Chloroform , Aluminium chloride , 1,3-Dichlorobenzene . 2-Bromo-2',4'-dichloroacetophenone with cas registry number of 2631-72-3 is used as a pharmaceutical intermediate .