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CAS No.: | 873-77-8 |
---|---|
Name: | 4-CHLOROPHENYLMAGNESIUM BROMIDE |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C6H4BrClMg |
Molecular Weight: | 215.76 |
Synonyms: | Magnesium,bromo(p-chlorophenyl)- (8CI);p-Chlorophenylmagnesium bromide (6CI);(4-Chlorophenyl)magnesium bromide;Bromo(4-chlorophenyl)magnesium; |
EINECS: | 212-853-8 |
Density: | 0.887 g/mL at 25 °C |
Boiling Point: | 115 °C(Press: 0.04 Torr) |
Flash Point: | -40 °F |
Solubility: | It reacts violently with water. |
Appearance: | light grey to brown-black solution when properly |
Hazard Symbols: | F+,C,F |
Risk Codes: | 12-19-22-34-67 |
Safety: | 9-16-26-29-33-36/37/39-45 |
Transport Information: | UN 3399 |
PSA: | 0.00000 |
LogP: | 2.98580 |
Conditions | Yield |
---|---|
With magnesium In tetrahydrofuran at 20 - 25℃; for 5h; | 95% |
With magnesium In diethyl ether | |
With magnesium In tetrahydrofuran |
Conditions | Yield |
---|---|
iodine In tetrahydrofuran at 70℃; for 1.5h; Heating / reflux; | |
In tetrahydrofuran at 20℃; for 2h; | |
In tetrahydrofuran Inert atmosphere; | |
With iodine In tetrahydrofuran at 20℃; | |
With lithium chloride In tetrahydrofuran at 0 - 25℃; for 0.5h; Inert atmosphere; Schlenk technique; |
Conditions | Yield |
---|---|
In toluene |
bromochlorobenzene
1-azaspiro[5.5]undecan-5-one
A
5-(4-chlorophenyl)-5-hydroxy-1-azaspiro[5.5]-undecane
B
(4-chlorphenyl)magnesium bromide
Conditions | Yield |
---|---|
In toluene |
bromochlorobenzene
6-azaspiro[4.5]decan-10-one
(4-chlorphenyl)magnesium bromide
Conditions | Yield |
---|---|
With sodium hydroxide In water |
bromochlorobenzene
methyl 3-(1-benzyl-1H-imidazol-5-yl)propanoate
(4-chlorphenyl)magnesium bromide
Conditions | Yield |
---|---|
With magnesium In tetrahydrofuran |
2-chloro-N-methoxy-N-methyl-pyridine-3-carboxamide
(4-chlorphenyl)magnesium bromide
2-chloro-3-(4-chlorobenzoyl)-pyridine
Conditions | Yield |
---|---|
In tetrahydrofuran at 0 - 20℃; for 2h; | 100% |
In tetrahydrofuran; diethyl ether at 5 - 8℃; Inert atmosphere; | 100% |
In tetrahydrofuran; diethyl ether at 5 - 20℃; for 19.25h; Grignard reaction; Inert atmosphere; | 100% |
In tetrahydrofuran at 0 - 20℃; for 2h; |
(4-chlorphenyl)magnesium bromide
(Z)-3-(4-chloro-phenyl)-2-cyano-acrylic acid ethyl ester
ethyl 3,3-bis(4-chlorophenyl)-2-cyanoacrylate
Conditions | Yield |
---|---|
With hydrogenchloride In diethyl ether; toluene for 1h; Heating / reflux; | 100% |
Stage #1: (4-chlorphenyl)magnesium bromide; (Z)-3-(4-chloro-phenyl)-2-cyano-acrylic acid ethyl ester In diethyl ether; toluene for 1h; Heating / reflux; Stage #2: With hydrogenchloride; water In diethyl ether; toluene Stage #3: With sodium hydrogencarbonate In diethyl ether; ethyl acetate; toluene | 100% |
pivalaldehyde
(4-chlorphenyl)magnesium bromide
(+/-)-2,2-dimethyl-1-(p-chlorophenyl)propan-1-ol
Conditions | Yield |
---|---|
In diethyl ether | 100% |
Dimethylamino-(1,4-dioxa-spiro[4.5]dec-8-yl)-acetonitrile
(4-chlorphenyl)magnesium bromide
[(4-Chlorophenyl)-(1,4-dioxa-spiro[4.5]dec-8-yl)-methyl]-dimethyl-amine
Conditions | Yield |
---|---|
In diethyl ether at 0 - 20℃; for 20h; | 100% |
In tetrahydrofuran at 0 - 20℃; for 20h; | 100% |
In diethyl ether at 0 - 20℃; for 20h; | 100% |
Stage #1: Dimethylamino-(1,4-dioxa-spiro[4.5]dec-8-yl)-acetonitrile; (4-chlorphenyl)magnesium bromide In diethyl ether at 20℃; for 20h; Stage #2: With ammonium chloride In diethyl ether; water at 0℃; | 100% |
Stage #1: Dimethylamino-(1,4-dioxa-spiro[4.5]dec-8-yl)-acetonitrile; (4-chlorphenyl)magnesium bromide In diethyl ether at 20℃; Inert atmosphere; Cooling with ice; Stage #2: With water; ammonium chloride In tetrahydrofuran Cooling with ice; | 100% |
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This chemical is called Magnesium,bromo(4-chlorophenyl)-, and its systematic name is bromo(4-chlorophenyl)magnesium. With the molecular formula of C6H4BrClMg, its molecular weight is 215.76. The CAS registry number of this chemical is 873-77-8. Additionally, its product categories are Aryl; Grignard Reagents; Organometallic Reagents.
Other characteristics of the Magnesium,bromo(4-chlorophenyl)- can be summarised as followings: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 0; (4)Exact Mass: 213.903532; (5)MonoIsotopic Mass: 213.903532; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 9; (8)Formal Charge: 0; (9)Complexity: 133; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 3.
Uses of this chemical: The 1-(4-chloro-phenyl)-2,2,2-trifluoro-ethanone could be obtained by the reactants of Magnesium,bromo(4-chlorophenyl)- and trifluoroacetic acid. This reaction needs the reagent of diethyl ether. The other condition is heating.
When you are using this chemical, please be cautious about it as the following: This chemical is extremely flammable. Keep it away from sources of ignition. It may form explosive peroxides, and its vapours may cause drowsiness and dizziness. Keep its container in a well-ventilated place. Do not empty it into drains. Wear suitable protective clothing, gloves and eye/face protection. Take precautionary measures against static discharges. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Br[Mg]c1ccc(Cl)cc1
2.InChI: InChI=1/C6H4Cl.BrH.Mg/c7-6-4-2-1-3-5-6;;/h2-5H;1H;/q;;+1/p-1/rC6H4BrClMg/c7-9-6-3-1-5(8)2-4-6/h1-4H
3.InChIKey: CDEMHJCJMMOFMB-OOYVXOOFAU