2-Methyl-2-nitropropane supplier

Name
2-Methyl-2-nitropropane
EINECS 209-851-4
CAS No. 594-70-7
Article Data59
CAS DataBase
Density 0.95
Solubility insoluble
Melting Point 24 ºC
Formula C4H9 N O2
Boiling Point 126-127 ºC
Molecular Weight 103.121
Flash Point 19 ºC
Transport Information UN 1993
Appearance clear colourless liquid after melting
Safety Potentially explosive when heated. When heated to decomposition it emits toxic fumes of NO_x. See also NITRO COMPOUNDS.
Risk Codes R11;R36/37/38
Molecular Structure
Hazard Symbols
Synonyms 1,1-Dimethyl-1-nitroethane;2-Methyl-2-nitropropane; 2-Nitro-2-methylpropane; 2-Nitroisobutane; NSC 3651;Trimethylnitromethane
PSA 45.82000
LogP 1.58480

Synthetic route

: 75-64-9
tert-butylamine

: 594-70-7
2-Methyl-2-nitropropane

Conditions

Conditions	Yield
With dihydrogen peroxide; Na12[WZn3(H2O)2(ZnW9O34)2] at 75℃; for 7h;	100%
With potassium permanganate In water 1.) 11 deg C -> room temperature, 8 h, 2.) 55 deg C, 18 h;	78%
With sodium permanganate In hexane at 69℃; for 24h;	76%

: 75-98-9
Trimethylacetic acid

: 594-70-7
2-Methyl-2-nitropropane

Conditions

Conditions	Yield
With nitronium tetrafluoborate; silver carbonate In N,N-dimethyl acetamide at 90℃; for 12h; Inert atmosphere; Schlenk technique; regioselective reaction;	79%

: 917-95-3
t-butylnitrite

: 594-70-7
2-Methyl-2-nitropropane

Conditions

Conditions	Yield
With iodosylbenzene; meso-tetraphenylporphyrin iron(III) chloride In dichloromethane at 0℃;	75%

: 38442-51-2
tert-butylmercury chloride

: 594-70-7
2-Methyl-2-nitropropane

Conditions

Conditions	Yield
With potassium nitrite; 18-crown-6 ether In various solvent(s) for 2h; Irradiation;	70%
With potassium nitrite; 18-crown-6 ether In dimethyl sulfoxide at 35℃; Irradiation;	71 % Spectr.

: 917-95-3
t-butylnitrite

: 73876-87-6
1-(trimethylsilyl)-2-methyl-1-propenyl triflate

A: 933-52-8
2,2,4,4-tetramethyl-1,3-cyclobutanedione

B: 503-17-3
dimethylacetylene

C: 594-70-7
2-Methyl-2-nitropropane

D: 6554-73-0
N-tert-butylmethacrylamide

E: 7472-49-3
N-tert-butylisobutyramide

F: 13947-81-4
N-tert-butyl-2-hydroxy-2-methylpropanamide

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In 1,2-dimethoxyethane at -20℃; for 0.0333333h; Mechanism;	A 8.3% B 70% C n/a D 6.4% E 8.3% F 5.3%

...Expand

: 13686-33-4
t-butyl azide

: 594-70-7
2-Methyl-2-nitropropane

Conditions

Conditions	Yield
With HOF* CH3CN In chloroform at -78℃;	70%

: 75-28-5
Isobutane

: 594-70-7
2-Methyl-2-nitropropane

Conditions

Conditions	Yield
With N-hydroxyphthalimide; air; Nitrogen dioxide In various solvent(s) at 70℃; under 1520.1 Torr; for 14h;	61%
With N-hydroxyphthalimide; air; Nitrogen dioxide In various solvent(s) at 70℃; under 760 Torr; for 14h;	46%
With nitric acid at 150℃;

: [copper(II)(6,6′-(((pyridin-2-ylmethyl)azanediyl)bis(methylene))bis(2,4-di-tert-butylphenol))(acetate)]

: 10102-44-0
Nitrogen dioxide

A: 594-70-7
2-Methyl-2-nitropropane

: C34H45CuN3O6

Conditions

Conditions	Yield
In methanol at 20℃; Solvent;	A 0.5% B 60%

...Expand

: 24163-39-1
sodium 2-nitropropane

: 2355-56-8
1N-methyl-2,4,6-triphenylpyridinium tetrafluoroborate

A: 594-70-7
2-Methyl-2-nitropropane

B: 580-35-8
2,4,6-triphenylpyridine

Conditions

Conditions	Yield
In dimethyl sulfoxide at 80℃;	A 57% B n/a
In dimethyl sulfoxide at 25℃; for 2h; Rate constant; Kinetics;

...Expand

: 16649-50-6
N-tert-Butylhydroxylamine

: 594-70-7
2-Methyl-2-nitropropane

Conditions

Conditions	Yield
With potassium permanganate In water at 45 - 55℃;	52%

: [copper(II)(2,4-di-tert-butyl-6-(((3-(tert-butyl)-2-hydroxy-5-methylbenzyl)(pyridin-2-yl-methyl)amino)methyl)phenol)(acetate)]

: 10102-44-0
Nitrogen dioxide

A: 594-70-7
2-Methyl-2-nitropropane

: C31H38CuN3O6

Conditions

Conditions	Yield
In methanol at 20℃; Solvent;	A n/a B 0.65%

...Expand

: 463-82-1
2,2-dimethylpropane

: 594-70-7
2-Methyl-2-nitropropane

Conditions

Conditions	Yield
With nitric acid

: 507-20-0
tertiary butyl chloride

A: 540-80-7
tert.-butylnitrite

B: 594-70-7
2-Methyl-2-nitropropane

Conditions

Conditions	Yield
With silver(I) nitrite; diethyl ether

: 507-19-7
t-butyl bromide

A: 540-80-7
tert.-butylnitrite

B: 594-70-7
2-Methyl-2-nitropropane

Conditions

Conditions	Yield
With silver(I) nitrite unter Kuehlung;

: 7119-88-2
1,1-dibromo-1-nitro-ethane

: 544-97-8
dimethyl zinc(II)

A: 79-24-3
Nitroethane

B: 79-46-9
2-nitropropane

C: 594-70-7
2-Methyl-2-nitropropane

...Expand

: 113548-13-3
N-(benzenesulfonyl)-3-phenyloxaziridine

: 75-64-9
tert-butylamine

A: 917-95-3
t-butylnitrite

B: 594-70-7
2-Methyl-2-nitropropane

C: 6852-58-0
N-benzylidene tert-butylamine

D: 3376-24-7
N-tert-butyl-α-phenylnitrone

Conditions

Conditions	Yield
In chloroform-d1 for 1h; Product distribution; other primary amines;	A 30 % Spectr. B n/a C 65 % Spectr. D n/a

...Expand

: 75-64-9
tert-butylamine

A: 31107-20-7, 117894-51-6
tert-butylnitroso dimer

B: 917-95-3
t-butylnitrite

C: 594-70-7
2-Methyl-2-nitropropane

Conditions

Conditions	Yield
With oxaziridinium tetrafluoroborate derived from N-methyl-1,2,3,4-tetrahydroisoquinoline In dichloromethane at 0℃; for 48h;	A 50 % Spectr. B 30 % Spectr. C 20 % Spectr.
With oxaziridinium tetrafluoroborate derived from N-methyl-1,2,3,4-tetrahydroisoquinoline In dichloromethane for 2h;	A 5 % Spectr. B 65 % Spectr. C 25 % Spectr.

...Expand

: 75-64-9
tert-butylamine

aqueous potassium permanganate: aqueous potassium permanganate

: 594-70-7
2-Methyl-2-nitropropane

: 558-17-8
tert-Butyl iodide

silver nitrite: silver nitrite

A: 540-80-7
tert.-butylnitrite

B: 594-70-7
2-Methyl-2-nitropropane

...Expand

: 75-64-9
tert-butylamine

sulfomonoperoxoic acid: sulfomonoperoxoic acid

A: 917-95-3
t-butylnitrite

B: 594-70-7
2-Methyl-2-nitropropane

C tertbutyl-hydroxylamine: tertbutyl-hydroxylamine

...Expand

: 544-97-8
dimethyl zinc(II)

CCl3NO2: CCl3NO2

: 594-70-7
2-Methyl-2-nitropropane

: 75-28-5
Isobutane

diluted HNO3: diluted HNO3

: 594-70-7
2-Methyl-2-nitropropane

Conditions

Conditions	Yield
at 150℃;

Zn(CH3)2: Zn(CH3)2

bromonitropropane: bromonitropropane

: 594-70-7
2-Methyl-2-nitropropane

Conditions

Conditions	Yield
With diethyl ether

: 60-29-7
diethyl ether

: 507-20-0
tertiary butyl chloride

silver nitrite: silver nitrite

A: 540-80-7
tert.-butylnitrite

B: 594-70-7
2-Methyl-2-nitropropane

...Expand

: 507-19-7
t-butyl bromide

silver nitrite: silver nitrite

A: 540-80-7
tert.-butylnitrite

B: 594-70-7
2-Methyl-2-nitropropane

...Expand

: 463-82-1
2,2-dimethylpropane

: 7697-37-2
nitric acid

A: 75-52-5
nitromethane

B: 594-70-7
2-Methyl-2-nitropropane

C: 34715-98-5
2,2-dimethyl-1-nitro-propane

Conditions

Conditions	Yield
at 410℃;

...Expand

: 75-28-5
Isobutane

: 7697-37-2
nitric acid

A: 79-46-9
2-nitropropane

B: 625-74-1
1-nitroisobutane

C: 594-70-7
2-Methyl-2-nitropropane

D: 67-64-1
acetone

Conditions

Conditions	Yield
at 420℃; Produkt 5:Nitromethan;

...Expand

: 926-42-1
2,2-dimethylpropyl nitrate

A: 594-70-7
2-Methyl-2-nitropropane

B NO2: NO2

Conditions

Conditions	Yield
In tetralin at 154℃; Mechanism; Kinetics; Ea, log A, other solvent, other temperatures;

: 926-42-1
2,2-dimethylpropyl nitrate

A: 50-00-0
formaldehyd

B: 540-80-7
tert.-butylnitrite

C: 594-82-1
tetramethyl-2,2,3,3 butane

D: 21823-36-9
2-methyl-2-butanol nitrate

E: 594-70-7
2-Methyl-2-nitropropane

F: 630-19-3
pivalaldehyde

G NO2: NO2

Conditions

Conditions	Yield
In cyclohexane at 175℃; Mechanism; gas phase;

...Expand

: 594-70-7
2-Methyl-2-nitropropane

: 16649-50-6
N-tert-Butylhydroxylamine

Conditions

Conditions	Yield
With acetic acid; zinc In ethanol at 10 - 20℃; for 3h;	100%
With ammonia borane; gold on titanium oxide In ethanol at 20℃; for 0.666667h; Inert atmosphere;	85%
Reduction;	82%

: 15133-82-1
tetrakis(triphenylphosphine)nickel(0)

: 594-70-7
2-Methyl-2-nitropropane

: 71928-64-8
C4H9NONi(P(C6H5)3)2

Conditions

Conditions	Yield
In benzene Kinetics; byproducts: P(C6H5)3, OP(C6H5)3; the soln. of Ni(PPh3)4/benzene was added to the soln. of t-BuNO2/benzene with stirring at under Ar, stirred for 1 h; evapd. in vac., washed with hot hexane, dried in vac.;	100%

: 594-70-7
2-Methyl-2-nitropropane

: 51320-65-1
tetrakis(triethylphosphine)nickel(0)

: 71928-82-0
C4H9NONi(P(C2H5)3)2

Conditions

Conditions	Yield
In pentane Kinetics; byproducts: P(C2H5)3, OP(C2H5)3; to the soln. of Ni(PEt3)4/butane the soln. of t-BuNO2/pentane was addedwith stirring at -6°C under Ar, stirred for 1 h, warmed to 25°C; butane was added, cooled to -20°C, the liquid was remuved, partially evapd., this procedure repeated five times, crystd. at -78°C;	100%

: 594-70-7
2-Methyl-2-nitropropane

: 10017-37-5
tert-butylamine hydrochloride

Conditions

Conditions	Yield
Stage #1: 2-Methyl-2-nitropropane With iron(III)-acetylacetonate; hydrazine hydrate In methanol at 150℃; for 0.0333333h; Microwave irradiation; Stage #2: With hydrogenchloride In water; ethyl acetate chemoselective reaction;	99%
Stage #1: 2-Methyl-2-nitropropane With C36H56Cl3CrN2O; magnesium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane In tetrahydrofuran at 60℃; for 24h; Inert atmosphere; Schlenk technique; Stage #2: With hydrogenchloride In tetrahydrofuran; water; ethyl acetate at 20℃;	99%

: 594-70-7
2-Methyl-2-nitropropane

: 1435482-51-1
(1R,3aR,4S,7aR)-octahydro-1-[(1’R,2’E)-4’-acetoxy-1’-methyl-but-2’-en-1’-yl]-7a-methyl-4-triethylsilyloxy-1H-indene

: 1435482-53-3
(1R,3aR,4S,7aR)-octahydro-1-[(1’R,2’E)-1’,5’-dimethyl-5’-nitro-hex-2’-en-1’-yl]-7a-methyl-4-triethylsilyloxy-1H-indene

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); caesium carbonate In dimethyl sulfoxide at 20℃; for 16h;	99%

: 594-70-7
2-Methyl-2-nitropropane

: 135-02-4
ortho-anisaldehyde

: 130995-65-2
C-(2-methoxyphenyl)-N-tert-butylnitrone

Conditions

Conditions	Yield
With acetic acid; zinc In ethanol for 2h; Ambient temperature;	97%

: 594-70-7
2-Methyl-2-nitropropane

: 75-64-9
tert-butylamine

Conditions

Conditions	Yield
With [Zn(BH4)2(py)] In tetrahydrofuran for 0.67h; Heating;	96%
Stage #1: 2-Methyl-2-nitropropane In water; acetonitrile at 20℃; for 0.0833333h; Stage #2: With sodium tetrahydroborate In water; acetonitrile at 20℃; for 0.5h;	90%
With palladium on activated charcoal; tetrabutylammomium bromide; water; sodium hydroxide; silicon at 100℃; for 6h;	86%

: 594-70-7
2-Methyl-2-nitropropane

: 137266-01-4
2-((2-bromobenzyl)oxy)benzaldehyde

: C18H20BrNO2

Conditions

Conditions	Yield
With acetic acid; zinc In ethanol at 20℃; for 66h;	96%

: 594-70-7
2-Methyl-2-nitropropane

: 590-86-3
isovaleraldehyde

: C9H19NO

Conditions

Conditions	Yield
With acetic acid; zinc In ethanol at 20℃; for 20h;	95%

: 594-70-7
2-Methyl-2-nitropropane

: 454-89-7
3-Trifluoromethylbenzaldehyde

: 139607-33-3
C-<3-(α,α,α-trifluoromethyl)phenyl>-N-tert-butylnitrone

Conditions

Conditions	Yield
With acetic acid; zinc In ethanol for 2h; Ambient temperature;	93%
With acetic acid; zinc In ethanol at 0 - 20℃; for 16h;	39%

: 594-70-7
2-Methyl-2-nitropropane

: 135-02-4
ortho-anisaldehyde

: 130995-65-2
N-tert-butyl-α-(2-methoxy)phenylnitrone

Conditions

Conditions	Yield
With acetic acid; zinc In ethanol at 0 - 60℃; for 22.5h; Inert atmosphere; Darkness; Molecular sieve;	92%
With zinc diacetate; acetic acid In ethanol	877.2 mg(93%)

: 594-70-7
2-Methyl-2-nitropropane

: 78-81-9
isobutylamine

Conditions

Conditions	Yield
With sodium tetrahydroborate; nickel(II) chloride hexahydrate In water at 20℃; for 3h; Inert atmosphere; Green chemistry;	92%

: 594-70-7
2-Methyl-2-nitropropane

: 34036-07-2
3,4 difluorobenzaldehyde

: 204707-23-3
3,4-difluorophenyl t-butyl nitrone

Conditions

Conditions	Yield
With acetic acid In ethanol	91%

: 594-70-7
2-Methyl-2-nitropropane

: 2646-90-4
2,5-difluorobenzaldehyde

: 204707-24-4
N-tert-butyl-α-(2,5-difluorophenyl)nitrone

Conditions

Conditions	Yield
With acetic acid In ethanol	90%

: 594-70-7
2-Methyl-2-nitropropane

: C16H15NO2

: C20H24N2O2

Conditions

Conditions	Yield
Stage #1: 2-Methyl-2-nitropropane With acetic acid; zinc In ethanol at 20℃; for 3h; Cooling with ice; Stage #2: C16H15NO2 In ethanol at 20℃; for 10h;	90%
Stage #1: 2-Methyl-2-nitropropane With acetic acid; zinc In ethanol at 20℃; for 3h; Cooling with ice; Stage #2: C16H15NO2 In ethanol at 20℃; for 10h;	90%

: 594-70-7
2-Methyl-2-nitropropane

: C12H13NO2

: C16H22N2O2

Conditions

Conditions	Yield
Stage #1: 2-Methyl-2-nitropropane With acetic acid; zinc In ethanol at 20℃; for 3h; Cooling with ice; Stage #2: C12H13NO2 In ethanol at 20℃; for 16h;	89%
Stage #1: 2-Methyl-2-nitropropane With acetic acid; zinc In ethanol at 20℃; for 3h; Cooling with ice; Stage #2: C12H13NO2 In ethanol at 20℃; for 16h;	89%

: 594-70-7
2-Methyl-2-nitropropane

: 123-38-6
propionaldehyde

: 66376-14-5, 118644-20-5, 118644-30-7
C7H15NO

Conditions

Conditions	Yield
With acetic acid; zinc In ethanol at 20℃; for 29h;	88%

: 594-70-7
2-Methyl-2-nitropropane

: 7087-68-5
N-ethyl-N,N-diisopropylamine

: 55830-07-4
N-ethylidene-1,1-dimethylethanamine N-oxide

Conditions

Conditions	Yield
With tris(2,2'-bipyridyl)ruthenium(II)chloride hexahydrate In acetonitrile at 50℃; for 9h; Irradiation;	88%

: 594-70-7
2-Methyl-2-nitropropane

: 123-72-8
butyraldehyde

: 72552-75-1
N-butylidene-1,1-dimethylethanamine N-Oxide

Conditions

Conditions	Yield
With tris(2,2'-bipyridyl)ruthenium(II)chloride hexahydrate; N,N-bis(1-methylethyl)-2-methyl-1-propanamine In acetonitrile at 50℃; for 9h; Irradiation;	88%

: 455-19-6
4-Trifluoromethylbenzaldehyde

: 594-70-7
2-Methyl-2-nitropropane

: 122778-03-4, 137957-46-1
C-<4-(α,α,α-trifluoromethyl)phenyl>-N-tert-butylnitrone

Conditions

Conditions	Yield
With acetic acid; zinc In ethanol for 2h; Ambient temperature;	86%

: 594-70-7
2-Methyl-2-nitropropane

: 80670-36-6
3-diazo-5-phenyl-3H-1,2,4-triazole

A: 917-95-3
t-butylnitrite

B: 100-47-0
benzonitrile

Conditions

Conditions	Yield
at 80℃; Yields of byproduct given;	A 86% B n/a

...Expand

: 594-70-7
2-Methyl-2-nitropropane

: 100-52-7
benzaldehyde

: 3376-24-7, 52392-70-8, 85225-53-2
(Z)-N-benzylidene-2-methylpropan-2-amine oxide

Conditions

Conditions	Yield
With acetic acid; zinc In ethanol at 20℃; for 21h;	85%
With tin(II) chloride dihdyrate; sodium carbonate In tetrahydrofuran for 32h; Reflux;	82%
With acetic acid; zinc In ethanol 1.) 10 deg C, 2 h, 2.) 6 deg C, 48 h;	78%

: 4221-03-8
5-hydroxypentanal

: 594-70-7
2-Methyl-2-nitropropane

: C9H19NO2

Conditions

Conditions	Yield
With acetic acid; zinc In ethanol at 20℃; for 19h;	85%

: 594-70-7
2-Methyl-2-nitropropane

: 44976-81-0
N,N-bis(1-methylethyl)-2-methyl-1-propanamine

: 85664-55-7
(Z)-2-methyl-N-(2-methylpropylidene)propan-2-amine N-oxide

Conditions

Conditions	Yield
With tris(2,2'-bipyridyl)ruthenium(II)chloride hexahydrate In acetonitrile at 50℃; for 9h; Irradiation;	84%

: 594-70-7
2-Methyl-2-nitropropane

: 456-48-4
3-Fluorobenzaldehyde

: 139607-30-0
(Z)-N-3-fluorobenzylidene-t-butanamine oxide

Conditions

Conditions	Yield
With acetic acid; zinc In ethanol for 2h; Ambient temperature;	83%
With acetic acid; zinc In ethanol at 0 - 20℃;

: 594-70-7
2-Methyl-2-nitropropane

: 591-31-1
3-methoxy-benzaldehyde

: 115995-22-7
N-tert-butyl-α-(3-methoxy)phenylnitrone

Conditions

Conditions	Yield
With acetic acid; zinc In ethanol at 0 - 60℃; for 24h; Inert atmosphere; Darkness; Molecular sieve;	83%

: 594-70-7
2-Methyl-2-nitropropane

: 66-99-9
β-naphthaldehyde

: 120350-90-5, 1251855-74-9, 1590374-51-8
(Z)‑N‑(tert‑butyl)‑1‑(naphthalen‑2‑yl)methanimine oxide

Conditions

Conditions	Yield
With tin(II) chloride dihdyrate; sodium carbonate In tetrahydrofuran for 32h; Reflux;	81%
With acetic acid; zinc In ethanol at 0 - 20℃;

: 594-70-7
2-Methyl-2-nitropropane

: 104-88-1
4-chlorobenzaldehyde

: 40117-30-4, 137957-45-0
(Z)‑N‑(tert‑butyl)‑1‑(4‑chlorophenyl)methanimine oxide

Conditions

Conditions	Yield
With acetic acid; zinc In ethanol for 2h; Ambient temperature;	80%
With tin(II) chloride dihdyrate; sodium carbonate In tetrahydrofuran for 32h; Reflux;	80%

: 594-70-7
2-Methyl-2-nitropropane

: 1122-91-4
4-bromo-benzaldehyde

: 76790-28-8, 127896-05-3
N-<(4-Bromophenyl)methylene>-2-methyl-2-propanamine N-oxide

Conditions

Conditions	Yield
With acetic acid; zinc In ethanol for 2h; Ambient temperature;	80%

2-Methyl-2-nitropropane Chemical Properties

IUPAC Name: 2-Methyl-2-nitro-propane
Synonyms: 1, 1-Dimethyl-1-nitroethane ; 1,1-Dimethyl-1-nitroethane ; 2-Methyl-2-nitropropane ; 2-Nitro-2-methylpropane
Product Categories: Nitro Compounds;Nitrogen Compounds;Organic Building Blocks Molecular Structure :
Molecular Formula of tert-Nitrobutane (CAS NO.594-70-7) : C₄H₉NO₂
Molecular Weight of tert-Nitrobutane (CAS NO.594-70-7) : 103.12
Molecular Structure of tert-Nitrobutane (CAS NO.594-70-7) :
CAS NO: 594-70-7
EINECS: 209-851-4
Index of Refraction: 1.409
Surface Tension: 27 dyne/cm
Density: 0.96 g/cm³
Flash Point: 19.4 °C
Enthalpy of Vaporization: 36.37 kJ/mol
Boiling Point: 125.9 °C at 760 mmHg
Vapour Pressure: 11.9 mmHg at 25°C
Melting point 24 ºC
Storage temp: Flammables area
Water solubility: insoluble
Appearance:clear colourless liquid after melting

2-Methyl-2-nitropropane Safety Profile

Potentially explosive when heated. When heated to decomposition it emits toxic fumes of NO_x. See also NITRO COMPOUNDS.
Hazard Codes F, Irritant Xi
Risk Statements 11-36/37/38
R11:Highly flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 16-26-36/37/39
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR UN 1993 3/PG 2
WGK Germany 3
HazardClass 4.1
PackingGroup II

Product Name

2-Methyl-2-nitropropane

Synthetic route

2-Methyl-2-nitropropane Chemical Properties

2-Methyl-2-nitropropane Safety Profile

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