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| CAS No.: | 1073-67-2 |
|---|---|
| Name: | 4-Chlorostyrene |
| Molecular Structure: | |
|
|
|
| Formula: | C8H7Cl |
| Molecular Weight: | 138.597 |
| Synonyms: | p-Chlorostyrene;HSDB 3451;NSC 18603;Parachlorostyrene;Styrene, 4-chloro-;Styrene, p-chloro-; |
| EINECS: | 214-028-8 |
| Density: | 1.088 g/cm3 |
| Melting Point: | -16 °C |
| Boiling Point: | 192.688 °C at 760 mmHg |
| Flash Point: | 61.196 °C |
| Solubility: | Immiscible with water. |
| Appearance: | clear colourless to slightly yellow liquid |
| Hazard Symbols: |
 Xi, F
|
| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| Transport Information: | UN 1993 |
| PSA: | 0.00000 |
| LogP: | 2.98300 |
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| Conditions | Yield |
|---|---|
| With N-n-butyl-N-methylpiperidine bis(trifluoromethanesulfonyl)imide salt; sodium hydroxide at 160℃; for 5h; | 99% |
| With copper In quinoline | |
| With ferulic acid decarboxylase from Saccharomyces cerevisiae In aq. phosphate buffer; dimethyl sulfoxide at 25℃; pH=7.4; Kinetics; Enzymatic reaction; |
| Conditions | Yield |
|---|---|
| Stage #1: para-Chlorobenzyl alcohol 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; | 97% |
| Conditions | Yield |
|---|---|
| With hydrogen In toluene at 20℃; under 22801.5 Torr; for 12h; Autoclave; chemoselective reaction; | 96% |
| With piperazine; NiO doped titania In methanol at 20℃; for 3h; Inert atmosphere; Sealed tube; UV-irradiation; | 95% |
| With bis(1,5-cyclooctadiene)diiridium(I) dichloride; ethanol; 1,2-bis-(diphenylphosphino)ethane In tetrahydrofuran at 70℃; for 22h; Inert atmosphere; stereoselective reaction; | 91% |
- 23135-16-2
1,2-dibromo-1-(4-chlorophenyl)ethane
- 1073-67-2
4-vinylbenzyl chloride
| Conditions | Yield |
|---|---|
| With indium; cobalt(II) chloride hexahydrate In methanol at 20℃; for 1h; | 95% |
| With gallium; bis(cyclopentadienyl)titanium dichloride In tetrahydrofuran at 20℃; for 0.166667h; Inert atmosphere; Ultrasonic irradiation; chemoselective reaction; | 95% |
| With indium; niobium pentachloride In tetrahydrofuran at 20℃; for 0.166667h; Sonication; chemoselective reaction; | 95% |
- 1073-67-2
4-vinylbenzyl chloride
| Conditions | Yield |
|---|---|
| With molybdenum hexacarbonyl In toluene for 1h; Reflux; chemoselective reaction; | 95% |
| Conditions | Yield |
|---|---|
| With dichloro bis(acetonitrile) palladium(II) In N,N-dimethyl-formamide at 20℃; for 0.166667h; | 94% |
- 77295-59-1
1-chloro-4-(2,2-dibromovinyl)benzene
- 1073-67-2
4-vinylbenzyl chloride
| Conditions | Yield |
|---|---|
| With samarium In methanol at 45℃; for 6h; | 94% |
- 61078-14-6
1-methyl-2-(methylsulfonyl)-1H-benzo[d]imidazole
- 104-88-1
4-chlorobenzaldehyde
- 1073-67-2
4-vinylbenzyl chloride
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In N,N-dimethyl-formamide at 20℃; for 1h; Inert atmosphere; | 93% |
| With potassium tert-butylate In N,N-dimethyl-formamide at 20℃; for 1h; Inert atmosphere; | 93% |
| Conditions | Yield |
|---|---|
| With sodium iodide; tin(ll) chloride In ethanol for 0.0666667h; Reflux; Green chemistry; | 92% |
| With carbon monoxide In tetrahydrofuran; water at 110℃; under 6840.46 Torr; for 2h; Autoclave; chemoselective reaction; | 85% |
| With iododioxobis(triphenylphosphine)rhenium(V) In toluene for 0.583333h; Reflux; chemoselective reaction; | 78% |
| Conditions | Yield |
|---|---|
| With Hoveyda-Grubbs catalyst second generation; di-μ-bromobis-(tritert-butylphosphine)dipalladium(I) In tetrahydrofuran at 60℃; under 7500.75 Torr; for 16h; Autoclave; | 92% |
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Specification
The 4-Chlorostyrene, with the CAS registry number 1073-67-2 and EINECS registry number 214-028-8, has the systematic name and IUPAC name of 1-chloro-4-ethenylbenzene. It is a kind of clear colourless to slightly yellow liquid, and belongs to the following product categories: Styrenes; Monomers; Polymer Science; Styrene and Functionalized Styrene Monomers. And the molecular formula of the chemical is C8H7Cl. What's more, it should be stored in the refrigerator.
The physical properties of 4-Chlorostyrene are as followings: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.604; (4)ACD/LogD (pH 7.4): 3.604; (5)ACD/BCF (pH 5.5): 322.838; (6)ACD/BCF (pH 7.4): 322.838; (7)ACD/KOC (pH 5.5): 2175.386; (8)ACD/KOC (pH 7.4): 2175.386; (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: 1.575; (14)Molar Refractivity: 42.072 cm3; (15)Molar Volume: 127.332 cm3; (16)Polarizability: 16.679×10-24cm3; (17)Surface Tension: 34.282 dyne/cm; (18)Density: 1.088 g/cm3; (19)Flash Point: 61.196 °C; (20)Enthalpy of Vaporization: 41.133 kJ/mol; (21)Boiling Point: 192.688 °C at 760 mmHg; (22)Vapour Pressure: 0.673 mmHg at 25°C.
Uses of 4-Chlorostyrene: It can react with morpholine to produce 4-[(4-chloro-phenyl)-thioacetyl]-morpholine. This reaction will need reagent S. The reaction time is 10 minutes, and the yield is about 68%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and 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: C=Cc1ccc(cc1)Cl
(2)InChI: InChI=1/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
(3)InChIKey: KTZVZZJJVJQZHV-UHFFFAOYAL