4-tert-Butylpyridine supplier

Name
4-tert-Butylpyridine
EINECS 223-614-2
CAS No. 3978-81-2
Article Data40
CAS DataBase
Density 0.905 g/cm³
Solubility Practically insoluble in water
Melting Point -40°C(lit.)
Formula C₉H₁₃N
Boiling Point 197.1 °C at 760 mmHg
Molecular Weight 135.209
Flash Point 63.3 °C
Transport Information
Appearance clear colorless to slightly yellow liquid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Pyridine,4-(1,1-dimethylethyl)-;Pyridine,4-tert-butyl- (6CI,7CI,8CI);4-(1,1-Dimethylethyl)pyridine;4-t-Butylpyridine;NSC 5104;p-tert-Butylpyridine;
PSA 12.89000
LogP 2.37910

Synthetic route

: 23569-17-7
4-tert-butylpyridine N-oxide

: 3978-81-2
4-tert-butylpyridine

Conditions

Conditions	Yield
With titanium tetrachloride; tin(ll) chloride In benzene for 0.5h; Ambient temperature;	99%
With ammonium formate; palladium on activated charcoal In methanol for 0.166667h; Ambient temperature;	97%
With sodium hypophosphite; palladium on activated charcoal In acetic acid at 60℃; for 1h;	97%

: 34995-29-4
1-chloro-2-methyl-2-(4-pyridyl)propane

: 3978-81-2
4-tert-butylpyridine

Conditions

Conditions	Yield
With lithium In tetrahydrofuran a) 0 deg C, 90 min, b) 25 deg C, 4 h;	91%

: 594-19-4
tert.-butyl lithium

: 181219-01-2
4-pyridineboronic acid pinacol ester

: 3978-81-2
4-tert-butylpyridine

Conditions

Conditions	Yield
Stage #1: tert.-butyl lithium; 4-pyridineboronic acid pinacol ester In tetrahydrofuran at -78 - 20℃; for 0.833333h; Inert atmosphere; Stage #2: With trifluoroacetyl chloride In tetrahydrofuran at -78 - 40℃; for 15.5h; Inert atmosphere; Further stages;	85%

: 23569-17-7
4-tert-butylpyridine N-oxide

: 16420-13-6
N,N-Dimethylthiocarbamoyl chloride

A: 3978-81-2
4-tert-butylpyridine

B: C12H18N2OS

Conditions

Conditions	Yield
In acetonitrile at 81℃; for 4h;	A 81% B 4%

...Expand

: 38442-51-2
tert-butylmercury chloride

: 22581-65-3
1-Methoxypyridinium iodide

A: 3978-81-2
4-tert-butylpyridine

B: 5944-41-2
2-tert-butylpyridine

C: 29939-31-9
2,4-di-tert-butylpyridine

Conditions

Conditions	Yield
With potassium iodide In dimethyl sulfoxide at 35 - 40℃; for 0.5h; Irradiation;	A 71% B 23% C n/a

...Expand

: 4-tert-Butyl-1-(2,5-dimethyl-pyrrol-1-yl)-1,4-dihydro-pyridine

: 3978-81-2
4-tert-butylpyridine

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile) In tetrahydrofuran for 72h; Heating;	55%

: 100-48-1
pyridine-4-carbonitrile

: 84379-72-6
1,3-dioxoisoindolin-2-yl 3,3-dimethylbutanoate

: 3978-81-2
4-tert-butylpyridine

Conditions

Conditions	Yield
Stage #1: pyridine-4-carbonitrile; 1,3-dioxoisoindolin-2-yl 3,3-dimethylbutanoate With bis(pinacol)diborane; zinc(II) chloride In tert-butyl methyl ether at 80℃; for 24h; Stage #2: With sodium carbonate In water regioselective reaction;	35%

: 696-30-0
4-s-propylpyridine

: 74-87-3
methylene chloride

: 3978-81-2
4-tert-butylpyridine

Conditions

Conditions	Yield
With ammonia; sodium amide

: 110-86-1
pyridine

: 38442-51-2
tert-butylmercury chloride

A: 3978-81-2
4-tert-butylpyridine

B: 5944-41-2
2-tert-butylpyridine

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane at 40℃; for 5h; Irradiation; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 110-86-1
pyridine

: 89379-02-2
tert-butylmercury iodide

A: 3978-81-2
4-tert-butylpyridine

B: 5944-41-2
2-tert-butylpyridine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid; potassium iodide In dimethyl sulfoxide Irradiation;

...Expand

: 134126-23-1
1-benzyl-4-tert-butyl-1,4-dihydropyridine

A: 3978-81-2
4-tert-butylpyridine

B: 103-29-7
1,1'-(1,2-ethanediyl)bisbenzene

Conditions

Conditions	Yield
at 200℃; for 0.05h;

: Trifluoro-methanesulfonic acid (3aR,7aR)-1,3-dibenzyl-octahydro-benzo[1,3,2]diazaphosphol-2-yl ester; compound with 4-tert-butyl-pyridine

A: 3978-81-2
4-tert-butylpyridine

: Trifluoro-methanesulfonic acid (3aR,7aR)-1,3-dibenzyl-octahydro-benzo[1,3,2]diazaphosphol-2-yl ester

Conditions

Conditions	Yield
at 26.9℃; Equilibrium constant;

4-<β.β'.β''-triiodo-tert-butyl>-pyridine: 4-<β.β'.β''-triiodo-tert-butyl>-pyridine

: 3978-81-2
4-tert-butylpyridine

Conditions

Conditions	Yield
With hydrogen iodide; zinc

: 4-(2-iodo-1,1-bis-iodomethyl-ethyl)-pyridine

: 10034-85-2
hydrogen iodide

zinc dust: zinc dust

: 3978-81-2
4-tert-butylpyridine

...Expand

: 108-89-4
picoline

: 7664-41-7
ammonia

: sodium amide

A: 536-75-4
4-Ethylpyridine

B: 3978-81-2
4-tert-butylpyridine

C: 696-30-0
4-s-propylpyridine

Conditions

Conditions	Yield
Product distribution; anschliessend Behandeln mit Methylchlorid;

...Expand

: 4-tert-Butyl-1-iodo-pyridinium

A: 3978-81-2
4-tert-butylpyridine

B I(1+): I(1+)

Conditions

Conditions	Yield
at 59.9℃; Thermodynamic data; gas phase;

: 108-89-4
picoline

: 3978-81-2
4-tert-butylpyridine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium amide; liquid ammonia 2: potassium amide; liquid ammonia / anschliessend Behandeln mit Methylchlorid 3: sodium amide; liquid ammonia View Scheme

: 536-75-4
4-Ethylpyridine

: 3978-81-2
4-tert-butylpyridine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium amide; liquid ammonia / anschliessend Behandeln mit Methylchlorid 2: sodium amide; liquid ammonia View Scheme

: 290-37-9
1,4-pyrazine

: Na3{pentacyanoferrate(II)4-(tert-butyl)pyridine}

A: 3978-81-2
4-tert-butylpyridine

B: Na3{pentacyanoferrate(II)pyrazine}

Conditions

Conditions	Yield
In further solvent(s) Kinetics; 298.2 K in cetyltrimethylammonium bromide;
In further solvent(s) Kinetics; 298.2 K in Triton X-100;
In further solvent(s) Kinetics; 298.2 K in sodium dodecylsulfate;

...Expand

: 773837-37-9
sodium cyanide

: Na3{pentacyanoferrate(II)4-(tert-butyl)pyridine}

A: 3978-81-2
4-tert-butylpyridine

B: sodium hexacyanoferrate(III)

Conditions

Conditions	Yield
In further solvent(s) Kinetics; 298.2 K in Triton X-100;

...Expand

: Na3{pentacyanoferrate(II)4-(tert-butyl)pyridine}

: 6277-35-6
N-methylpyrazinium iodide

A: 3978-81-2
4-tert-butylpyridine

B: Na3{pentacyanoferrate(II)N-methylpyrazinium iodide}

Conditions

Conditions	Yield
In further solvent(s) Kinetics; 298.2 K in Triton X-100;

...Expand

: 110-86-1
pyridine

: 1-benzyl-4-(tert-butyl)pyridin-1-ium bromide

A: 3978-81-2
4-tert-butylpyridine

B: 2589-31-3
N-benzylpyridinium bromide

Conditions

Conditions	Yield
In [D3]acetonitrile at 150℃; for 1h; Equilibrium constant; Microwave irradiation;

...Expand

: C30H31N2(1+)*BF4(1-)

A: 3978-81-2
4-tert-butylpyridine

B: C21H18N(1+)*BF4(1-)

Conditions

Conditions	Yield
In dichloromethane at 20℃; Equilibrium constant;

: C30H33N2(1+)*BF4(1-)

A: 3978-81-2
4-tert-butylpyridine

B: 1995-50-2
(4-dimethylaminophenyl)diphenylmethylium tetrafluoroborate

Conditions

Conditions	Yield
In dichloromethane at 20℃; Equilibrium constant;

: 110-86-1
pyridine

: 80522-42-5
triisopropylsilyl trifluoromethanesulfonate

: 14627-81-7
di-tert-butylmagnesium

A: 3978-81-2
4-tert-butylpyridine

B: 4-(tert-butyl)-1-(triisopropylsilyl)-1,4-dihydropyridine

Conditions

Conditions	Yield
Stage #1: pyridine; triisopropylsilyl trifluoromethanesulfonate In dichloromethane at 20℃; for 0.25h; Inert atmosphere; Stage #2: di-tert-butylmagnesium In 1,4-dioxane; diethyl ether; dichloromethane at -85℃; for 16h; Inert atmosphere; Overall yield = 263 mg;

...Expand

: 110-86-1
pyridine

: 677-22-5
tert-butylmagnesium chloride

: 80522-42-5
triisopropylsilyl trifluoromethanesulfonate

A: 3978-81-2
4-tert-butylpyridine

B: 4-(tert-butyl)-1-(triisopropylsilyl)-1,4-dihydropyridine

C: C18H35NSi

Conditions

Conditions	Yield
Stage #1: pyridine; triisopropylsilyl trifluoromethanesulfonate In dichloromethane at 20℃; for 0.25h; Inert atmosphere; Stage #2: tert-butylmagnesium chloride In diethyl ether; dichloromethane at 0 - 20℃; for 16h; Inert atmosphere;

...Expand

: 100-48-1
pyridine-4-carbonitrile

: C22H20BO2(1-)*Li(1+)

A: 3978-81-2
4-tert-butylpyridine

B: 8,9-dioxa-8a-borabenzo[fg]tetracene

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 14h; Inert atmosphere; Irradiation; Sealed tube; Glovebox;	A 80 %Spectr. B n/a

...Expand

: 3978-81-2
4-tert-butylpyridine

: 109-65-9
1-bromo-butane

: 4-(tert-butyl)-1-butylpyridin-1-ium bromide

Conditions

Conditions	Yield
In ethanol for 16h;	100%
In ethanol Heating;	68%

: 3978-81-2
4-tert-butylpyridine

: 35815-10-2
bis(allyl)calcium

: 1259988-20-9
bis(4-tert-butylpyridin-2-yl)calcium

Conditions

Conditions	Yield
at 25℃; for 96h; Inert atmosphere;	100%

: 3978-81-2
4-tert-butylpyridine

: C36H50I4N2O2

: C72H102N6O2(4+)*4I(1-)

Conditions

Conditions	Yield
In acetonitrile at 80℃; for 18h; Sealed tube;	100%

: 3978-81-2
4-tert-butylpyridine

: C36H50N2O3Zn

: C75H93Br2N7O6Zn

Conditions

Conditions	Yield
In dichloromethane	100%

: 3978-81-2
4-tert-butylpyridine

: 14104-20-2
silver tetrafluoroborate

: C53H40CoN4O4

: C71H66CoN6O4(1+)*BF4(1-)

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 12h; Schlenk technique;	100%

...Expand

: 3978-81-2
4-tert-butylpyridine

: 23569-17-7
4-tert-butylpyridine N-oxide

Conditions

Conditions	Yield
With dihydrogen peroxide; acetic acid In water at 90℃;	99%
With dihydrogen peroxide In acetic acid at 80℃; for 15h;	97%
With dihydrogen peroxide; acetic acid Reflux; Inert atmosphere;	95%

: 3978-81-2
4-tert-butylpyridine

: 1882-42-4
4-tert-butylpiperidine

Conditions

Conditions	Yield
With hydrogen; rhodium on alumina	99%
With hydrogen; acetic acid; Rh/Al2O3; chloro(1,5-cyclooctadiene)rhodium(I) dimer In ethanol at 50℃; under 76000.1 Torr; for 24h;	86%
With hydrogen; platinum(IV) oxide In ethanol; chloroform under 2585.81 Torr; for 48h; Hydrogenation;	80.5%

: 3978-81-2
4-tert-butylpyridine

: 65520-02-7
4-(tert-butyl)pyridin-1-ium chloride

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane at 22℃; for 0.5h;	99%
With hydrogenchloride In diethyl ether; ethanol for 1h;

: 3978-81-2
4-tert-butylpyridine

: 114622-49-0
6-tert-butylazulene

Conditions

Conditions	Yield
	99%
Multi-step reaction with 2 steps 1.1: ethanol / 16 h 2.1: sodium hydride / mineral oil; N,N-dimethyl-formamide / 0.75 h / 0 °C / Inert atmosphere 2.2: 0.33 h / 25 - 200 °C / Inert atmosphere; Microwave irradiation View Scheme

: 3978-81-2
4-tert-butylpyridine

: 821-06-7
(E)-1,4-dibromobutene

: 1,4-bis(4-tert-butylpyridinium)-but-(2E)-ene-1,4-diyl dibromide

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 70℃;	99%
In N,N-dimethyl-formamide at 70℃;	66%

: 3978-81-2
4-tert-butylpyridine

: 38309-89-6
2,7-bis(bromomethyl)naphthalene

: 1,1'-bis(4-tert-butylpyridinium)-naphthyl-3,6-dimethylenyl dibromide

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 70℃;	99%

: 3978-81-2
4-tert-butylpyridine

: bis(4-tert-butylpyridin-2-yl)calcium

Conditions

Conditions	Yield
With bis(allyl)calcium In tetrahydrofuran at 25℃; for 168h; Inert atmosphere; regioselective reaction;	99%

: 3978-81-2
4-tert-butylpyridine

: manganese(III)-bromido-5,15-bis[2',6'-bis(bromomethyl)-4'-t-butylphenyl]-10,20-bis(4'-t-butylphenyl)porphyrin

: manganese(III)-bromido-5,15-bis[2',6'-bis(N-methylene-[4''-t-butylpyridinium])-4'-t-butylphenyl]-10,20-bis(4'-t-butylphenyl)porphyrin tetrabromide

Conditions

Conditions	Yield
In toluene at 160℃; for 12h;	99%

: 3978-81-2
4-tert-butylpyridine

: 1888-75-1
isopropyllithium

: 4-(tert-butyl)-2-isopropylpyridine

Conditions

Conditions	Yield
In hexane for 36h; Heating;	98%

: 23569-17-7
4-tert-butylpyridine N-oxide

: 3978-81-2
4-tert-butylpyridine

Conditions

Conditions	Yield
With titanium tetrachloride; tin(ll) chloride In benzene for 0.5h; Ambient temperature;	99%
With ammonium formate; palladium on activated charcoal In methanol for 0.166667h; Ambient temperature;	97%
With sodium hypophosphite; palladium on activated charcoal In acetic acid at 60℃; for 1h;	97%

: 34995-29-4
1-chloro-2-methyl-2-(4-pyridyl)propane

: 3978-81-2
4-tert-butylpyridine

Conditions

Conditions	Yield
With lithium In tetrahydrofuran a) 0 deg C, 90 min, b) 25 deg C, 4 h;	91%

: 594-19-4
tert.-butyl lithium

: 181219-01-2
4-pyridineboronic acid pinacol ester

: 3978-81-2
4-tert-butylpyridine

Conditions

Conditions	Yield
Stage #1: tert.-butyl lithium; 4-pyridineboronic acid pinacol ester In tetrahydrofuran at -78 - 20℃; for 0.833333h; Inert atmosphere; Stage #2: With trifluoroacetyl chloride In tetrahydrofuran at -78 - 40℃; for 15.5h; Inert atmosphere; Further stages;	85%

: 23569-17-7
4-tert-butylpyridine N-oxide

: 16420-13-6
N,N-Dimethylthiocarbamoyl chloride

A: 3978-81-2
4-tert-butylpyridine

B: C12H18N2OS

Conditions

Conditions	Yield
In acetonitrile at 81℃; for 4h;	A 81% B 4%

...Expand

: 38442-51-2
tert-butylmercury chloride

: 22581-65-3
1-Methoxypyridinium iodide

A: 3978-81-2
4-tert-butylpyridine

B: 5944-41-2
2-tert-butylpyridine

C: 29939-31-9
2,4-di-tert-butylpyridine

Conditions

Conditions	Yield
With potassium iodide In dimethyl sulfoxide at 35 - 40℃; for 0.5h; Irradiation;	A 71% B 23% C n/a

...Expand

: 4-tert-Butyl-1-(2,5-dimethyl-pyrrol-1-yl)-1,4-dihydro-pyridine

: 3978-81-2
4-tert-butylpyridine

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile) In tetrahydrofuran for 72h; Heating;	55%

: 100-48-1
pyridine-4-carbonitrile

: 84379-72-6
1,3-dioxoisoindolin-2-yl 3,3-dimethylbutanoate

: 3978-81-2
4-tert-butylpyridine

Conditions

Conditions	Yield
Stage #1: pyridine-4-carbonitrile; 1,3-dioxoisoindolin-2-yl 3,3-dimethylbutanoate With bis(pinacol)diborane; zinc(II) chloride In tert-butyl methyl ether at 80℃; for 24h; Stage #2: With sodium carbonate In water regioselective reaction;	35%

: 696-30-0
4-s-propylpyridine

: 74-87-3
methylene chloride

: 3978-81-2
4-tert-butylpyridine

Conditions

Conditions	Yield
With ammonia; sodium amide

: 110-86-1
pyridine

: 38442-51-2
tert-butylmercury chloride

A: 3978-81-2
4-tert-butylpyridine

B: 5944-41-2
2-tert-butylpyridine

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane at 40℃; for 5h; Irradiation; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 110-86-1
pyridine

: 89379-02-2
tert-butylmercury iodide

A: 3978-81-2
4-tert-butylpyridine

B: 5944-41-2
2-tert-butylpyridine

Conditions

Conditions	Yield
With toluene-4-sulfonic acid; potassium iodide In dimethyl sulfoxide Irradiation;

...Expand

: 134126-23-1
1-benzyl-4-tert-butyl-1,4-dihydropyridine

A: 3978-81-2
4-tert-butylpyridine

B: 103-29-7
1,1'-(1,2-ethanediyl)bisbenzene

Conditions

Conditions	Yield
at 200℃; for 0.05h;

: Trifluoro-methanesulfonic acid (3aR,7aR)-1,3-dibenzyl-octahydro-benzo[1,3,2]diazaphosphol-2-yl ester; compound with 4-tert-butyl-pyridine

A: 3978-81-2
4-tert-butylpyridine

: Trifluoro-methanesulfonic acid (3aR,7aR)-1,3-dibenzyl-octahydro-benzo[1,3,2]diazaphosphol-2-yl ester

Conditions

Conditions	Yield
at 26.9℃; Equilibrium constant;

4-<β.β'.β''-triiodo-tert-butyl>-pyridine: 4-<β.β'.β''-triiodo-tert-butyl>-pyridine

: 3978-81-2
4-tert-butylpyridine

Conditions

Conditions	Yield
With hydrogen iodide; zinc

: 4-(2-iodo-1,1-bis-iodomethyl-ethyl)-pyridine

: 10034-85-2
hydrogen iodide

zinc dust: zinc dust

: 3978-81-2
4-tert-butylpyridine

...Expand

: 108-89-4
picoline

: 7664-41-7
ammonia

: sodium amide

A: 536-75-4
4-Ethylpyridine

B: 3978-81-2
4-tert-butylpyridine

C: 696-30-0
4-s-propylpyridine

Conditions

Conditions	Yield
Product distribution; anschliessend Behandeln mit Methylchlorid;

...Expand

: 4-tert-Butyl-1-iodo-pyridinium

A: 3978-81-2
4-tert-butylpyridine

B I(1+): I(1+)

Conditions

Conditions	Yield
at 59.9℃; Thermodynamic data; gas phase;

: 108-89-4
picoline

: 3978-81-2
4-tert-butylpyridine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium amide; liquid ammonia 2: potassium amide; liquid ammonia / anschliessend Behandeln mit Methylchlorid 3: sodium amide; liquid ammonia View Scheme

: 536-75-4
4-Ethylpyridine

: 3978-81-2
4-tert-butylpyridine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium amide; liquid ammonia / anschliessend Behandeln mit Methylchlorid 2: sodium amide; liquid ammonia View Scheme

: 290-37-9
1,4-pyrazine

: Na3{pentacyanoferrate(II)4-(tert-butyl)pyridine}

A: 3978-81-2
4-tert-butylpyridine

B: Na3{pentacyanoferrate(II)pyrazine}

Conditions

Conditions	Yield
In further solvent(s) Kinetics; 298.2 K in cetyltrimethylammonium bromide;
In further solvent(s) Kinetics; 298.2 K in Triton X-100;
In further solvent(s) Kinetics; 298.2 K in sodium dodecylsulfate;

...Expand

4-tert-Butylpyridine Specification

The CAS register number of 4-tert-Butylpyridine is 3978-81-2. It also can be called as Pyridine, 4-tert-butyl-; 4-(t-Butyl)pyridine; p-tert-Butyl pyridine. The molecular formula about this chemical is C₉H₁₃N and the molecular weight is 135.21. It belongs to the following product categories which include C9 to C46; Heterocyclic Building Blocks; Pyridines and so on.

Physical properties about 4-tert-Butylpyridine are: (1)ACD/LogP: 2.741; (2)ACD/LogD (pH 5.5): 2.14; (3)ACD/LogD (pH 7.4): 2.73; (4)ACD/BCF (pH 5.5): 17.81; (5)ACD/BCF (pH 7.4): 68.74; (6)ACD/KOC (pH 5.5): 184.33; (7)ACD/KOC (pH 7.4): 711.29; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.484 ; (11)Molar Refractivity: 42.731 cm³; (12)Molar Volume: 149.345 cm³; (13)Polarizability: 16.94 10-24cm³; (14)Surface Tension: 29.9799995422363 dyne/cm; (15)Density: 0.905 g/cm³; (16)Flash Point: 63.333 °C; (17)Enthalpy of Vaporization: 41.558 kJ/mol; (18)Boiling Point: 197.095 °C at 760 mmHg; (19)Vapour Pressure: 0.541999995708466 mmHg at 25°C

Preparation of 4-tert-Butylpyridine: this chemical can be prepared by 4-tert-butyl-pyridine 1-oxide. This reaction will need reagent aq. NaOH, thiourea S,S-dioxide and solvent ethanol. The reaction time is 1 hour(s) with reaction temperature of 80 - 85 °C. The yield is about 84%.

Preparation of 4-tert-Butylpyridine

Uses of 4-tert-Butylpyridine: it can be used to produce N-(2',4'-dinitrophenyl)-4-tert-butylpyridinium chloride with 1-chloro-2,4-dinitro-benzene at heating. This reaction is a kind of Arylation. It will need solvent acetone with reaction time of 12 hours. The yield is about 72%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccc(cc1)C(C)(C)C
(2)InChI: InChI=1/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3
(3)InChIKey: YSHMQTRICHYLGF-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3
(5)Std. InChIKey: YSHMQTRICHYLGF-UHFFFAOYSA-N

Product Name

4-tert-Butylpyridine

Synthetic route

4-tert-Butylpyridine Specification

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