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5161-29-5

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Basic Information
CAS No.: 5161-29-5
Name: STYRENE-2,3,4,5,6-D5
Article Data: 11
Molecular Structure:
Molecular Structure of 5161-29-5 (STYRENE-2,3,4,5,6-D5)
Formula: C8H3 D5
Molecular Weight: 109.112
Synonyms: Benzene-d5,ethenyl- (9CI); Styrene-2,3,4,5,6-d5 (7CI,8CI); 2,3,4,5,6-Pentadeuteriostyrene
Density: 0.952 g/mL at 25 ºC(lit.)
Boiling Point: 50-51 ºC 25 mm Hg(lit.)
Flash Point: 88 °F
Hazard Symbols: HarmfulXn
Risk Codes: 10-20-36/38
Safety: 23
Transport Information: UN 2055 3
PSA: 0.00000
LogP: 2.32960
Related products
Synthetic route
879549-74-3

(1-bromoethyl)(D5)benzene

5161-29-5

styrene-2,3,4,5,6-d5

Conditions
ConditionsYield
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
ConditionsYield
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

d5-8-Quinolinyl phenyl ketone

A

90029-06-4

1-(quinolin-8-yl)propan-1-one

B

5161-29-5

styrene-2,3,4,5,6-d5

Conditions
ConditionsYield
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
ConditionsYield
With copper(II) sulfate at 120℃; Dehydration;
4165-57-5

bromobenzene-d5

5161-29-5

styrene-2,3,4,5,6-d5

Conditions
ConditionsYield
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
1076-43-3

benzene-d6

5161-29-5

styrene-2,3,4,5,6-d5

Conditions
ConditionsYield
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
ConditionsYield
Multi-step reaction with 2 steps
1: LiAlH4
2: dehydratisation
View Scheme
74-85-1

ethene

1076-43-3

benzene-d6

5161-29-5

styrene-2,3,4,5,6-d5

Conditions
ConditionsYield
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;
5161-29-5

styrene-2,3,4,5,6-d5

775-12-2

diphenylsilane

1355957-02-6

C20H15(2)H5Si

Conditions
ConditionsYield
With dibromobis(triphenylphosphine)nickel(II) In tetrahydrofuran at 80℃; for 1h; Inert atmosphere; regioselective reaction;83%
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Chemistry

 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

Uses

 Styrene-2,3,4,5,6-D5 (5161-29-5) is commonly used as chemical reagent.

Safety Profile

Hazard Codes:  Xn
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