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Cas Database |
| Name |
Styrene-2,3,4,5,6-D5 |
EINECS | N/A |
| CAS No. | 5161-29-5 | Density | 0.952 g/mL at 25 ºC(lit.) |
| PSA | 0.00000 | LogP | 2.32960 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H3 D5 | Boiling Point | 50-51 ºC 25 mm Hg(lit.) |
| Molecular Weight | 109.112 | Flash Point | 88 °F |
| Transport Information | UN 2055 3 | Appearance | N/A |
| Safety | 23 | Risk Codes | 10-20-36/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
Benzene-d5,ethenyl- (9CI); Styrene-2,3,4,5,6-d5 (7CI,8CI); 2,3,4,5,6-Pentadeuteriostyrene |
Article Data | 11 |
Styrene-2,3,4,5,6-D5 Synthetic route
- 879549-74-3
(1-bromoethyl)(D5)benzene
- 5161-29-5
styrene-2,3,4,5,6-d5
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In tetrahydrofuran for 0.5h; | 65% |
- 14132-51-5
2,3,4,5,6-pentadeuteriobenzaldehyde
- 1779-49-3
Methyltriphenylphosphonium bromide
- 5161-29-5
styrene-2,3,4,5,6-d5
- 90162-45-1
1-[2',3',4',5',6'-2H5]phenylethanol
- 5161-29-5
styrene-2,3,4,5,6-d5
| Conditions | Yield |
|---|---|
| dehydratisation; | |
| With toluene-4-sulfonic acid | |
| Multi-step reaction with 2 steps 1: 87 percent / AcBr / 0.33 h / 0 - 20 °C 2: 65 percent / potassium tert-butoxide / tetrahydrofuran / 0.5 h View Scheme |
| Conditions | Yield |
|---|---|
| With pyridine; <(C2H4)RhCl>2 Mechanism; 1.) benzene, 80 deg C, 6 atm; |
- 35845-63-7
[phenyl-2H5]phenylethyl alcohol
- 5161-29-5
styrene-2,3,4,5,6-d5
| Conditions | Yield |
|---|---|
| With copper(II) sulfate at 120℃; Dehydration; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: magnesium ribbon / diethyl ether 2: CuSO4 / 120 °C View Scheme | |
| Multi-step reaction with 2 steps 1: 1.) Mg; 2: p-TsOH View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: bromine; iron 2: magnesium ribbon / diethyl ether 3: CuSO4 / 120 °C View Scheme | |
| Multi-step reaction with 3 steps 1: AlCl3 / CS2 2: LiAlH4 3: dehydratisation View Scheme |
- 28077-64-7
acetophenone-d5
- 5161-29-5
styrene-2,3,4,5,6-d5
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: LiAlH4 2: dehydratisation View Scheme |
| Conditions | Yield |
|---|---|
| With (N,N'-bis(pentafluorophenyl)-2,3-dimethyl-1,4-diaza-1,3-butadiene)Rh(OAc)(η2-C2H4); copper(II) dipivaloate In 1,4-dioxane at 150℃; under 3345.86 Torr; for 3h; Pressure; | |
| With palladium diacetate; copper(II) dipivaloate at 150℃; under 3345.86 Torr; for 2.5h; Catalytic behavior; Kinetics; Sealed tube; |
| Conditions | Yield |
|---|---|
| With dibromobis(triphenylphosphine)nickel(II) In tetrahydrofuran at 80℃; for 1h; Inert atmosphere; regioselective reaction; | 83% |
Styrene-2,3,4,5,6-D5 Chemical Properties
Styrene-2,3,4,5,6-D5 (5161-29-5) is called for Styrene (ring-D5) ; Styrene-D5 ; Styrene-D5 (ring-D5) ; Styrene-2,3,4,5,6-D5 (Stabilized with) ; Styrene-d5,stab. ,and so on. Styrene-2,3,4,5,6-D5 (5161-29-5) is usually in the form of liquid.
CAS: 5161-29-5
Molecular Formula: C8H3D5
Molecular Weight: 109.18
Molecular structure:
ACD/LogD (pH 5.5): 2.7
ACD/LogD (pH 7.4): 2.7
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 1
Index of Refraction: 1.557
Molar Refractivity: 37.17 cm3
Molar Volume: 115.3 cm3
Polarizability: 14.73 10-24cm3
Surface Tension: 30.9 dyne/cm
Density: 0.946 g/cm3
Flash Point: 31.1 °C
Enthalpy of Vaporization: 36.65 kJ/mol
Boiling Point: 145.2 °C at 760 mmHg
Vapour Pressure: 6.21 mmHg at 25°C
Styrene-2,3,4,5,6-D5 Uses
Styrene-2,3,4,5,6-D5 (5161-29-5) is commonly used as chemical reagent.
Styrene-2,3,4,5,6-D5 Safety Profile
Hazard Codes: Xn .gif){kind=small}
Risk Statements: 10-20-36/38 (R10:Flammable. R20:Harmful by inhalation. R36/38:Irritating to eyes and skin.)
Safety Statements: 23 (S23:Do not breathe vapour.)
RIDADR: UN 2055 3/PG 3
WGK Germany: 2
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