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| CAS No.: | 2039-82-9 |
|---|---|
| Name: | 4-Bromostyrene |
| Molecular Structure: | |
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| Formula: | C8H7Br |
| Molecular Weight: | 183.048 |
| Synonyms: | Styrene,p-bromo- (6CI,7CI,8CI);1-(4-Bromophenyl)ethylene;1-Bromo-4-ethenylbenzene;1-Bromo-4-vinylbenzene;4-Bromophenylethene;4-Vinyl-1-bromobenzene;NSC 60393;Parabromostyrene;p-Bromostyrene;para-Bromostyrene; |
| EINECS: | 218-022-6 |
| Density: | 1.391 g/cm3 |
| Melting Point: | 4.5 °C |
| Boiling Point: | 214.3 °C at 760 mmHg |
| Flash Point: | 86.7 °C |
| Appearance: | clear slightly yellow to yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 0.00000 |
| LogP: | 3.09210 |
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- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
| Conditions | Yield |
|---|---|
| With hydrogen In toluene at 20℃; under 19001.3 Torr; for 12h; Autoclave; chemoselective reaction; | 99% |
| With silver(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate; C19H13I2N3O2Ru; hydrogen In isopropyl alcohol at 80℃; under 3750.38 Torr; for 4h; Autoclave; Schlenk technique; chemoselective reaction; | 86% |
| With piperazine; hydrogen In ethanol at 80℃; under 4500.45 Torr; for 24h; | 83% |
- 33458-10-5
1-bromo-4-(1,2-dibromoethyl)benzene
- 2039-82-9
1-bromo-4-ethenyl-benzene
| Conditions | Yield |
|---|---|
| With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; sodium carbonate In dimethyl sulfoxide at 20℃; for 1.5h; Reagent/catalyst; Solvent; Inert atmosphere; Irradiation; | 99% |
| at 20℃; for 0.05h; chemoselective reaction; | 93% |
| With indium; cobalt(II) chloride hexahydrate In methanol at 20℃; for 1.5h; | 91% |
| With indium; niobium pentachloride In tetrahydrofuran at 20℃; for 0.166667h; Sonication; chemoselective reaction; | 91% |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 60℃; for 0.05h; Microflow system; | 98% |
| Conditions | Yield |
|---|---|
| With hydrogen In hexane at 40℃; under 760.051 Torr; for 6h; | A 97% B 3% |
| With hydrogen; dimethyl sulfoxide In ethyl acetate at 20℃; under 760.051 Torr; for 24h; | A 88 %Spectr. B 9 %Spectr. |
| Conditions | Yield |
|---|---|
| Stage #1: 4-bromobenzenemethanol With triethylphosphine hydrobromide at 100℃; for 0.166667h; Microwave irradiation; Stage #2: formaldehyd With potassium carbonate In water at 100℃; for 0.0833333h; Microwave irradiation; | 96% |
- 1779-49-3
Methyltriphenylphosphonium bromide
- 1122-91-4
4-bromo-benzaldehyde
- 2039-82-9
1-bromo-4-ethenyl-benzene
| Conditions | Yield |
|---|---|
| Stage #1: Methyltriphenylphosphonium bromide With potassium tert-butylate In diethyl ether at 20℃; for 0.25h; Inert atmosphere; Stage #2: 4-bromo-benzaldehyde In diethyl ether at 0℃; for 15h; Inert atmosphere; | 95% |
| Stage #1: Methyltriphenylphosphonium bromide With n-butyllithium In tetrahydrofuran; hexane at 0℃; for 0.5h; Stage #2: 4-bromo-benzaldehyde In tetrahydrofuran; hexane at 0 - 20℃; Further stages.; | 93% |
| Stage #1: Methyltriphenylphosphonium bromide With n-butyllithium In tetrahydrofuran; hexane at 0℃; for 2h; Schlenk technique; Stage #2: 4-bromo-benzaldehyde In tetrahydrofuran at 0 - 20℃; | 91% |
- 20488-10-2
1-(1-chloroethyl)-4-bromobenzene
- 2039-82-9
1-bromo-4-ethenyl-benzene
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 70℃; | 94% |
| With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate at 75℃; Rate constant; |
- 2039-82-9
1-bromo-4-ethenyl-benzene
| Conditions | Yield |
|---|---|
| With molybdenum hexacarbonyl In toluene for 1h; Reflux; chemoselective reaction; | 94% |
| Conditions | Yield |
|---|---|
| With tris(bipyridine)ruthenium(II) dichloride hexahydrate; potassium carbonate; triphenylphosphine In acetonitrile at 20℃; for 6h; Reagent/catalyst; Solvent; Schlenk technique; Inert atmosphere; Irradiation; | 93% |
| Conditions | Yield |
|---|---|
| With 1,1,3,3-Tetramethyldisiloxane; trifluorormethanesulfonic acid In tetrahydrofuran at 35℃; for 5h; Temperature; Reagent/catalyst; Solvent; Inert atmosphere; Schlenk technique; Flow reactor; | 91.7% |
| Multi-step reaction with 2 steps 1: methanol / 2 h / Reflux 2: potassium carbonate; water / tetrahydrofuran / 24 h / 120 °C / 30003 Torr / Autoclave; Green chemistry View Scheme | |
| Multi-step reaction with 2 steps 1: methanol / 2 h / Reflux 2: potassium carbonate; water / N,N-dimethyl-formamide / 24 h / 120 °C / 30003 Torr / Autoclave; Green chemistry View Scheme |
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Specification
The Benzene,1-bromo-4-ethenyl-, with CAS registry number 2039-82-9, belongs to the following product categories: (1)Styrenes; (2)Monomers; (3)Polymer Science; (4)Styrene and Functionalized Styrene Monomers. It has the systematic name of 1-bromo-4-ethenylbenzene. This chemical is a kind of clear slightly yellow to yellow liquid. And is should be stored at the temperature of −20°C. The main use of this chemical is for organic synthesis.
Physical properties of Benzene,1-bromo-4-ethenyl-: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.59; (5)ACD/BCF (pH 5.5): 315.41; (6)ACD/BCF (pH 7.4): 315.41; (7)ACD/KOC (pH 5.5): 2139.44; (8)ACD/KOC (pH 7.4): 2139.44; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 44.86 cm3; (15)Molar Volume: 131.5 cm3; (16)Polarizability: 17.78×10-24cm3; (17)Surface Tension: 36.2 dyne/cm; (18)Enthalpy of Vaporization: 43.22 kJ/mol; (19)Vapour Pressure: 0.23 mmHg at 25°C.
Preparation: this chemical can be prepared by bromoethene and (4-bromo-phenyl)-magnesium bromide. This reaction will need reagent CoCl2.
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Uses of p-Chloropropiophenone: it can be used to produce 1-bromo-4-(1,2-dibromo-ethyl)-benzene. This reaction will need reagents chloroform, bromine.
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When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-4-ethenyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(\C=C)cc1
(2)InChI: InChI=1/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
(3)InChIKey: WGGLDBIZIQMEGH-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H7Br/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
(5)Std. InChIKey: WGGLDBIZIQMEGH-UHFFFAOYSA-N