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Cas Database |
| Name |
1,3-divinylbenzene |
EINECS | 203-595-7 |
| CAS No. | 108-57-6 | Density | 0.921g/cm3 |
| PSA | 0.00000 | LogP | 2.97260 |
| Solubility | N/A | Melting Point |
-66.9°C |
| Formula | C10H10 | Boiling Point | 211.3°Cat760mmHg |
| Molecular Weight | 130.189 | Flash Point | 74.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | An eye irritant. Combustible. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzene,m-divinyl- (8CI);1,3-Divinylbenzene;m-Divinylbenzene;m-Vinylstyrene; |
Article Data | 28 |
1,3-divinylbenzene Synthetic route
- 50-00-0
formaldehyd
- 10273-74-2
(1,3-phenylenebis(methylene))bis(triphenylphosphonium) dibromide
- 108-57-6
1,3-divinylbenzene
| Conditions | Yield |
|---|---|
| With lithium ethoxide In ethanol for 2h; Ambient temperature; | 95% |
| With lithium ethoxide In ethanol Ambient temperature; |
| Conditions | Yield |
|---|---|
| With potassium fluoride; Pd (1 wt%)/C In N,N-dimethyl-formamide at 130℃; under 1500.15 Torr; for 2.5h; Reagent/catalyst; Time; Hiyama Coupling; Inert atmosphere; | 94% |
- 105430-20-4
m-Divinylbenzene monoepoxide
- 108-57-6
1,3-divinylbenzene
| Conditions | Yield |
|---|---|
| With carbon monoxide In water at 27℃; under 760.051 Torr; for 16h; chemoselective reaction; | 85% |
| With carbon monoxide; water at 27℃; under 760.051 Torr; for 16h; chemoselective reaction; | 85% |
- 1112-55-6
tetravinylsilane
- 626-00-6
1,3-Diiodobenzene
A
- 108-57-6
1,3-divinylbenzene
B
- 4840-92-0
1-iodo-3-vinylbenzene
C
- 1434508-17-4
(E)-1,2-bis(3-vinylphenyl)ethene
| Conditions | Yield |
|---|---|
| With potassium fluoride; Pd (0.87 wt%)/MgO In N,N-dimethyl-formamide at 130℃; under 1500.15 Torr; for 3h; Hiyama Coupling; Inert atmosphere; | A 81% B 6% C 11% |
| Conditions | Yield |
|---|---|
| In 1,4-dioxane at 120℃; for 21h; Schlenk technique; Inert atmosphere; | 78% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In 1,4-dioxane; water for 15h; Heating; | 75% |
| With potassium tert-butylate In tetrahydrofuran at 0 - 25℃; Inert atmosphere; | 64% |
| Stage #1: Methyltriphenylphosphonium bromide With potassium tert-butylate In tetrahydrofuran at 20℃; for 0.333333h; Wittig Olefination; Inert atmosphere; Schlenk technique; Stage #2: Isophthalaldehyde In tetrahydrofuran at 20 - 40℃; for 1h; Wittig Olefination; Inert atmosphere; Schlenk technique; | 39% |
- 626-19-7
Isophthalaldehyde
- 141-82-2
malonic acid
A
- 108-57-6
1,3-divinylbenzene
B
- 19955-99-8
3-ethenylbenzaldehyde
| Conditions | Yield |
|---|---|
| With pyridine; ethanol Erhitzen des Reaktionsprodukts mit Chinolin und Kupfer-Pulver; |
| Conditions | Yield |
|---|---|
| With steam; pyrographite at 700 - 725℃; |
- 253185-02-3
ortho-diethylbenzene
- 108-57-6
1,3-divinylbenzene
| Conditions | Yield |
|---|---|
| With aluminum oxide; steam; zinc(II) oxide; calcium oxide at 600 - 610℃; |
| Conditions | Yield |
|---|---|
| With steam; pyrographite at 700 - 725℃; |
1,3-divinylbenzene Consensus Reports
1,3-divinylbenzene Standards and Recommendations
ACGIH TLV: 10 ppm
1,3-divinylbenzene Specification
1,3-divinylbenzene, with the CAS NO.108-57-6, has the Synonyms of m-vinylstyrene; m-divinylbenzene; benzene, 1,3-diethenyl-; 1,3-divinylbenzene; 1,3-bis(ethenyl)benzene; 1,3-DIVINYL-BENZOL; 1,3-Divinylbenzen. It is not misc in water; sol in ether and methanol.
Physical properties about 1,3-divinyl-benzene are: (1)ACD/LogP: 2.565; (2)ACD/LogD (pH 5.5): 2.57; (3)ACD/LogD (pH 7.4): 2.57; (4)ACD/BCF (pH 5.5): 52.39; (5)ACD/BCF (pH 7.4): 52.39; (6)ACD/KOC (pH 5.5): 591.89; (7)ACD/KOC (pH 7.4):591.89; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.596; (10)Molar Refractivity: 48.101 cm3; (11)Molar Volume: 141.329 cm3; (12)Polarizability: 19.069 10-24cm3; (13)Surface Tension: 32.4080009460449 dyne/cm; (14)Density: 0.921 g/cm3; (15)Flash Point: 74.555 °C; (16)Enthalpy of Vaporization: 42.938 kJ/mol; (17)Boiling Point: 211.348 °C at 760 mmHg; (18)Vapour Pressure: 0.266000002622604 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)InChI=1S/C10H10/c1-3-9-6-5-7-10(4-2)8-9/h3-8H,1-2H2;
(2)InChIKey=PRJNEUBECVAVAG-UHFFFAOYSA-N;
(3)Smilesc1c(cccc1C=C)C=C;
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