1,3,5,7-Cyclooctatetraene supplier

Name
1,3,5,7-Cyclooctatetraene
EINECS 211-080-3
CAS No. 629-20-9
Article Data90
CAS DataBase
Density 0.904 g/cm³
Solubility Not miscible or difficult to mix in water.
Melting Point -5 - -3 °C(lit.)
Formula C₈H₈
Boiling Point 140.5 °C at 760 mmHg
Molecular Weight 104.152
Flash Point 22.2 °C
Transport Information UN 2358
Appearance colourless to light yellow liquid
Safety 26-62
Risk Codes 10-36/37/38-65
Molecular Structure
Hazard Symbols Xn,Xi
Synonyms Cyclooctatetraene;NSC 5093;[8]Annulene;
PSA 0.00000
LogP 2.22480

Synthetic route

: 34733-74-9
bicyclo[4.2.1]nona-2,4,7-trien-9-one

: 629-20-9
1,3,5,7-cyclooctatetraene

Conditions

Conditions	Yield
In benzene-d6 at 100℃; Kinetics; Rate constant; 125 deg C;	100%

: 153943-48-7
4-Thia-2,6-diazahexacyclo<5.4.02,6.08,11.09,13.010,12>tridecane-3,5-dione

A: 629-20-9
1,3,5,7-cyclooctatetraene

B: 24046-80-8
Diazabasketene

Conditions

Conditions	Yield
In [D3]acetonitrile for 0.5h; Ambient temperature; Irradiation;	A 5 % Spectr. B 80%
In [D3]acetonitrile for 0.5h; Product distribution; Ambient temperature; Irradiation; other solvents; different reaction conditions;	A 5 % Spectr. B 80%

: 1552-12-1, 111-78-4
1,5-cis,cis-cyclooctadiene

: 629-20-9
1,3,5,7-cyclooctatetraene

Conditions

Conditions	Yield
Stage #1: 1,5-cis,cis-cyclooctadiene With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In hexane; pentane for 24h; Stage #2: With di-tert-butyl peroxide In hexane; pentane for 4h; Heating; Further stages.;	65%
Multi-step reaction with 2 steps 1: K / 120 h / 108 °C 2: azobenzene / tetrahydrofuran / 1.) -78 deg C, 2.) room temp., 3 h further oxidizing agents View Scheme

: 3194-57-8
1,2,5,6-tetrabromocyclooctane

: 629-20-9
1,3,5,7-cyclooctatetraene

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium tert-butylate In water; pentane	61%

: 69530-46-7, 69576-52-9
(1R,7S,8R)-8-Chloro-bicyclo[5.1.0]octa-2,4-diene

A: 292638-84-7
styrene

B: 629-20-9
1,3,5,7-cyclooctatetraene

Conditions

Conditions	Yield
With potassium tert-butylate at 25℃;	A n/a B 56%
With potassium tert-butylate at 25℃; Product distribution; Mechanism; other temperature: 90 deg C; other cond.: solvent: tetraglyme, temp: 90 deg C, pressure: 1 Torr;	A n/a B 56%
With potassium tert-butylate at 90℃;	A 8% B 8%

: 74-86-2
acetylene

A: 629-20-9
1,3,5,7-cyclooctatetraene

B: 108-88-3
toluene

C: 123-54-6
acetylacetone

D: 71-43-2
benzene

Conditions

Conditions	Yield
bis(acetylacetonate)nickel(II); calcium carbide In tetrahydrofuran at 85 - 90℃; Further byproducts given;	A 56% B n/a C n/a D 33%

...Expand

: 74-86-2
acetylene

A: 629-20-9
1,3,5,7-cyclooctatetraene

B: 71-43-2
benzene

Conditions

Conditions	Yield
With calcium carbide; tetrabutylammonium tetrafluoroborate; nickel In tetrahydrofuran at 80℃; under 12751 Torr; for 42h; electrolysis;	A 55% B n/a
With tetrabutylammonium tetrafluoroborate; nickel In tetrahydrofuran at 80℃; under 11250.9 Torr; Product distribution; Mechanism; electrolysis, further solvents, further catalysts, different temperatures;

: 68344-46-7
1,5-Cyclooctadien-3-in

A: 292638-84-7
styrene

B: 629-20-9
1,3,5,7-cyclooctatetraene

Conditions

Conditions	Yield
at 500℃; under 0.1 Torr;	A 51% B 49%

: 6909-37-1
semibullvalene

: 629-20-9
1,3,5,7-cyclooctatetraene

Conditions

Conditions	Yield
at 300℃; under 2 Torr; for 0.000555556h; Product distribution; the effect of temperature was investigated;	50%
at 370℃; under 2 Torr; for 0.000555556h; Yield given;

: 20380-30-7
syn-tricyclo{4.2.0.0(2.5)}octa-3,7-diene

: 629-20-9
1,3,5,7-cyclooctatetraene

Conditions

Conditions	Yield
With 1,2,3,5-Tetracyanobenzol In acetonitrile at -40℃; for 10h; Irradiation;	46%

: 119-61-9
benzophenone

: 35434-64-1
tetracyclo<3.3.0.02,4.03,6>oct-7-ene

A: 629-20-9
1,3,5,7-cyclooctatetraene

B: C21H18O

Conditions

Conditions	Yield
In acetone for 24h; Product distribution; Irradiation;	A 6% B 43%

...Expand

: 277-10-1
cubane

A: 629-20-9
1,3,5,7-cyclooctatetraene

B: 20380-30-7
syn-tricyclo{4.2.0.0(2.5)}octa-3,7-diene

Conditions

Conditions	Yield
With 1,2,3,5-Tetracyanobenzol In acetonitrile at -40℃; for 10h; Irradiation;	A 34% B 17%

: 35434-64-1
tetracyclo<3.3.0.02,4.03,6>oct-7-ene

A: 629-20-9
1,3,5,7-cyclooctatetraene

B: 74-86-2
acetylene

C: 71-43-2
benzene

Conditions

Conditions	Yield
In Cyclohexane-d12 for 26.6667h; Product distribution; Irradiation;	A 32% B n/a C 6%

...Expand

: 35434-64-1
tetracyclo<3.3.0.02,4.03,6>oct-7-ene

A: 629-20-9
1,3,5,7-cyclooctatetraene

B: semibullvalene

C: 71-43-2
benzene

Conditions

Conditions	Yield
In acetone for 85.5833h; Product distribution; Irradiation;	A 13.5% B 3.5% C 5%

...Expand

: 74-86-2
acetylene

: 629-20-9
1,3,5,7-cyclooctatetraene

Conditions

Conditions	Yield
With tetrahydrofuran; nickel(II) cyanide; calcium carbide at 60 - 70℃; under 11032.6 - 14710.2 Torr; unter Stickstoff;
With oxirane; tetrahydrofuran; nickel(II) cyanide at 60 - 70℃; under 11032.6 - 14710.2 Torr; unter Stickstoff;
With nickel
With nickel

: 74-86-2
acetylene

A: 629-20-9
1,3,5,7-cyclooctatetraene

B: 1515-78-2
buta-1,3-dien-1-ylbenzene

Conditions

Conditions	Yield
With oxirane; tetrahydrofuran; nickel cyanide at 60 - 130℃; under 11032.6 - 14710.2 Torr; 1c-phenyl-butadiene-(1.3);

: 67-56-1
methanol

: 77861-57-5, 92621-14-2
9-phenyl-9-phosphatricyclo<4.2.1.02,5>nona-3,7-diene

A: 2946-61-4
phenylphosphonous acid dimethyl ester

B: 629-20-9
1,3,5,7-cyclooctatetraene

C: 638-21-1
phenylphosphane

Conditions

Conditions	Yield
at 50℃; for 0.25h; Product distribution;

...Expand

: 558-37-2
tert-butylethylene

: 292-64-8
Cyclooctan

A: 75-83-2
2,2-Dimethylbutane

B: 629-20-9
1,3,5,7-cyclooctatetraene

Conditions

Conditions	Yield
(iPr3P)2IrH5 at 150℃; for 120h; Product distribution; Mechanism; reaction time; other catalysts: <(p-F-C6H4)3P>2IrH5, <(p-F-C6H4)3P>3RuH4, (Me3P)2IrH5, (Ph3P)3RuH4, (Ar3P)2ReH7;

...Expand

: 292-64-8
Cyclooctan

: 629-20-9
1,3,5,7-cyclooctatetraene

Conditions

Conditions	Yield
With tert-butylethylene; (iPr3P)2IrH5 at 150℃; evacuated sealed tube; Yield given;

: 277-10-1
cubane

A: 292638-84-7
styrene

B: 629-20-9
1,3,5,7-cyclooctatetraene

Conditions

Conditions	Yield
In decalin at 200.3 - 226.5℃; Rate constant; Product distribution; dependence on glass;

: 277-10-1
cubane

A: 292638-84-7
styrene

B: 629-20-9
1,3,5,7-cyclooctatetraene

C: 74-86-2
acetylene

D: 71-43-2
benzene

Conditions

Conditions	Yield
at 234.8 - 248.6℃; Rate constant; Thermodynamic data; Mechanism; E(a), Σ, Η, Γ*;

...Expand

: 277-10-1
cubane

A: 292638-84-7
styrene

B: 629-20-9
1,3,5,7-cyclooctatetraene

C: 61771-84-4
1,4-dihydropentalene

D: 33284-11-6
1,5-dihydropentalene

E: 74-86-2
acetylene

F: 71-43-2
benzene

Conditions

Conditions	Yield
Product distribution; pyrolysis as a function of time, temperature and pressure;

...Expand

: 3332-38-5
<16>annulene

: 629-20-9, 17676-32-3, 97590-88-0, 34510-09-3
<8>annulene dianion

A: 629-20-9
1,3,5,7-cyclooctatetraene

B: 3332-38-5, 18446-44-1, 23614-50-8, 83213-58-5
<16>annulene dianion

...Expand

: 3332-38-5
<16>annulene

: 629-20-9, 17676-32-3, 97590-88-0
<8>Annulene anion radical

A: 629-20-9
1,3,5,7-cyclooctatetraene

B: <16>annulene anion radical

Conditions

Conditions	Yield
In N,N,N,N,N,N-hexamethylphosphoric triamide at 25℃; Equilibrium constant; Thermodynamic data; ΔH0 (enthalpy of electron transfer), ΔS0 (entropy of electron transfer);

...Expand

: 68344-46-7
1,5-Cyclooctadien-3-in

: 629-20-9
1,3,5,7-cyclooctatetraene

Conditions

Conditions	Yield
Heating;

: 262-83-9
cyclooctanaphthalene

: 629-20-9, 17676-32-3, 97590-88-0
<8>Annulene anion radical

A: 629-20-9
1,3,5,7-cyclooctatetraene

B: (6Z,8Z,10Z)-Cycloocta[b]naphthalene

Conditions

Conditions	Yield
In N,N,N,N,N,N-hexamethylphosphoric triamide at 25℃; Equilibrium constant; Thermodynamic data; ΔH0 (enthalpy of electron transfer), ΔS0 (entropy of electron transfer);

...Expand

: 17596-57-5
perdeuteriated <8>annulene

: 629-20-9, 17676-32-3, 97590-88-0
cyclooctatetraene anion

A: 629-20-9
1,3,5,7-cyclooctatetraene

B: 17596-57-5
C8(2)H8(1-)

Conditions

Conditions	Yield
In ammonia at -100℃; Equilibrium constant; Thermodynamic data; ΔG0;

...Expand

: 20656-23-9
cuneane

A: 629-20-9
1,3,5,7-cyclooctatetraene

B: 6909-37-1
semibullvalene

Conditions

Conditions	Yield
at 180℃; for 1h; Product distribution; Thermodynamic data; Kinetics; gas-phase thermolysis, various temperatures, pressures and times, Arrhenius parameters;

: 4514-70-9
tert-butoxycyclooctatetraene

: 629-20-9, 17676-32-3, 97590-88-0
<8>Annulene anion radical

A: 629-20-9
1,3,5,7-cyclooctatetraene

B: tert-Butoxycyclooctatetraene anion radical

Conditions

Conditions	Yield
In N,N,N,N,N,N-hexamethylphosphoric triamide at 25℃; Equilibrium constant; Thermodynamic data; ΔH0 (enthalpy of electron transfer), ΔS0 (entropy of electron transfer);

...Expand

: 13402-35-2
ethylcyclooctatetraene

: 629-20-9, 17676-32-3, 97590-88-0
<8>Annulene anion radical

A: 629-20-9
1,3,5,7-cyclooctatetraene

B: Ethylcyclooctatetraenanionradikal

Conditions

Conditions	Yield
In N,N,N,N,N,N-hexamethylphosphoric triamide at 25℃; Equilibrium constant; Thermodynamic data; ΔH0 (enthalpy of electron transfer), ΔS0 (entropy of electron transfer);

...Expand

: 629-20-9
1,3,5,7-cyclooctatetraene

: 7567-22-8
bromocyclooctatetraene

Conditions

Conditions	Yield
Stage #1: 1,3,5,7-cyclooctatetraene With bromine In dichloromethane at -70℃; for 1h; Stage #2: With potassium tert-butylate In tetrahydrofuran; dichloromethane at -60℃; for 4h; Concentration; Solvent; Temperature;	97%
Stage #1: 1,3,5,7-cyclooctatetraene With bromine In dichloromethane at -78℃; for 2h; Schlenk technique; Inert atmosphere; Stage #2: With potassium tert-butylate In tetrahydrofuran; dichloromethane at -78℃; for 3h; Schlenk technique; Inert atmosphere;	85%
With potassium tert-butylate; bromine In dichloromethane	75%
(i) Br2, CH2Cl2, (ii) KOtBu; Multistep reaction;
Multi-step reaction with 2 steps 1: Br2 2: t-BuOK View Scheme

: 16453-18-2
3,6-bis(trifluoromethyl)-1,2,4,5-tetrazine

: 629-20-9
1,3,5,7-cyclooctatetraene

: 137866-82-1
2,4a-dihydro-1,4-bis(trifluoromethyl)cyclooctapyridazine

Conditions

Conditions	Yield
In dichloromethane for 72h;	95%

: 6097-08-1
2-(hex-5-yn-1-yl)isoindole-1,3-dione

: 629-20-9
1,3,5,7-cyclooctatetraene

: 2-[4-(bicyclo[4.2.2]deca-2,4,7,9-tetraen-7-yl)butyl]-1H-isoindole-1,3(2H)-dione

Conditions

Conditions	Yield
With zinc(II) iodide; zinc; CoI2(dppe) In 1,2-dichloro-ethane at 40℃; for 20h;	94%

: 629-20-9
1,3,5,7-cyclooctatetraene

: 120546-24-9
(+/-)-7,10-Dithiadinaphtho<2,1-d:1',2'-f>cyclooctene 7,7,10,10-tetraoxide

: C30H22O4S2

Conditions

Conditions	Yield
With hydroquinone In chloroform at 90℃; for 24h;	93%

: 629-20-9
1,3,5,7-cyclooctatetraene

: cyclooctatetraene dibromide

Conditions

Conditions	Yield
With bromine at -80 - -60℃; for 0.5h;	93%

: 115420-88-7
(PDMTA)(LiEt)Ni(CH2CH2)2

: 629-20-9
1,3,5,7-cyclooctatetraene

A: (Ni*(COT))2

B: Li(cyclooctatrienyl)

C: 74-85-1
ethene

Conditions

Conditions	Yield
In toluene	A n/a B n/a C 93%

...Expand

: 108-31-6
maleic anhydride

: 629-20-9
1,3,5,7-cyclooctatetraene

: 51447-09-7
endo-tricyclo<4.2.2.02,5>deca-3,9-diene-7,8-dicarboxylate anhydride

Conditions

Conditions	Yield
With hydroquinone for 2h; Heating;	90%
In chlorobenzene Heating;

: 629-20-9
1,3,5,7-cyclooctatetraene

: 1066-54-2
trimethylsilylacetylene

: ((2Z,4Z)-bicyclo[4.2.2]deca-2,4,7,9-tetraen-7-yl)trimethylsilane

Conditions

Conditions	Yield
With zinc(II) iodide; zinc; CoI2(dppe) In 1,2-dichloro-ethane at 40℃; for 20h;	89%

: 14918-21-9
5-hexynonitrile

: 629-20-9
1,3,5,7-cyclooctatetraene

: 4-(bicyclo[4.2.2]deca-2,4,7,9-tetraen-7-yl)butanenitrile

Conditions

Conditions	Yield
With zinc(II) iodide; zinc; CoI2(dppe) In 1,2-dichloro-ethane at 40℃; for 20h;	88%

: 930-51-8
cyclopentylacetylene

: 629-20-9
1,3,5,7-cyclooctatetraene

: 7-cyclopentylbicyclo[4.2.2]deca-2,4,7,9-tetraene

Conditions

Conditions	Yield
With cobalt acetylacetonate; 1,2-bis-(diphenylphosphino)ethane; zinc(II) iodide; zinc In 1,2-dichloro-ethane at 60℃; for 20h; Sealed tube; Inert atmosphere;	88%

: 5256-74-6
1,3-diethyl 2-diazopropanedioate

: 629-20-9
1,3,5,7-cyclooctatetraene

A: bicyclo[4.2.1]nona-2,4,7-triene-9,9-dicarboxylic acid diethyl ester

B: (2Z,4Z,6Z)-Bicyclo[6.1.0]nona-2,4,6-triene-9,9-dicarboxylic acid diethyl ester

Conditions

Conditions	Yield
Product distribution; Irradiation; with or without benzophenone;	A 13% B 87%
Irradiation;	A 13% B 87%

...Expand

: 629-20-9
1,3,5,7-cyclooctatetraene

: 72051-04-8
6-(toluene-4-sulfonyloxy)-hexa-1,2-diene

: (E)-4-(bicyclo[4.2.2]deca-2,4,9-trien-7-ylidene)butan-1-ol tosylate

Conditions

Conditions	Yield
With 1,2-bis-(diphenylphosphino)ethane; cobalt(II) iodide; zinc(II) iodide; zinc In 1,2-dichloro-ethane at 60℃; for 20h; Inert atmosphere; Sealed tube; stereoselective reaction;	87%

: 108-31-6
maleic anhydride

: 629-20-9
1,3,5,7-cyclooctatetraene

: 6295-73-4
3a,4,4a,6a,7,7a-hexahydro-4,7-ethenocyclobutisobenzofuran-1,3-dione

Conditions

Conditions	Yield
In toluene Heating;	85%

: 629-20-9
1,3,5,7-cyclooctatetraene

: 5660-91-3
1,3-diphenyl-2H-cyclopenta<1>phenanthren-2-one

: 78442-58-7
C66H44O2

Conditions

Conditions	Yield
In benzene at 80℃; for 7h;	85%

: 629-20-9
1,3,5,7-cyclooctatetraene

: 963-16-6
(E)-1,2-bis(phenylsulfonyl)ethylene

: 87057-42-9
(1R,6S,9R,10R)-9,10-Bis-benzenesulfonyl-tricyclo[4.2.2.02,5]deca-3,7-diene

Conditions

Conditions	Yield
In 1,2-dichloro-benzene for 4h; Heating;	85%

: 16453-18-2
3,6-bis(trifluoromethyl)-1,2,4,5-tetrazine

: 629-20-9
1,3,5,7-cyclooctatetraene

A: 137866-82-1
2,4a-dihydro-1,4-bis(trifluoromethyl)cyclooctapyridazine

: 2,4a,6a,6b,10a,10b-hexahydro-1,4,7,10-tetrakis(trifluoromethyl)pyridazino<4,5-c>cyclobuta<1,2-f>phthalazine

Conditions

Conditions	Yield
In dichloromethane for 96h; Heating;	A 85% B 5%

...Expand

: 2327-99-3
1-phenylpropadiene

: 629-20-9
1,3,5,7-cyclooctatetraene

: 9-[(E)-phenylmethylidene]bicyclo[4.2.2]deca-2,4,7-triene

Conditions

Conditions	Yield
With 1,2-bis-(diphenylphosphino)ethane; cobalt(II) iodide; zinc(II) iodide; zinc In 1,2-dichloro-ethane at 60℃; for 20h; Inert atmosphere; Sealed tube; stereoselective reaction;	85%

: 6746-94-7
Cyclopropylacetylene

: 629-20-9
1,3,5,7-cyclooctatetraene

: 7-cyclopropylbicyclo[4.2.2]deca-2,4,7,9-tetraene

Conditions

Conditions	Yield
With cobalt acetylacetonate; 1,2-bis-(diphenylphosphino)ethane; zinc(II) iodide; zinc In 1,2-dichloro-ethane at 60℃; for 20h; Sealed tube; Inert atmosphere;	85%

: 629-20-9
1,3,5,7-cyclooctatetraene

: 1600-27-7
mercury(II) diacetate

: 7698-06-8, 42301-50-8
(+/-)-2-acetyloxy-1,2,2α,6α-tetrahydrocyclobuta[1,2-α]benzenyl acetate

Conditions

Conditions	Yield
at -5 - 25℃;	84%
With acetic acid at 70 - 80℃;

: 629-20-9
1,3,5,7-cyclooctatetraene

: 963-16-6
(E)-1,2-bis(phenylsulfonyl)ethylene

: 87057-42-9
5-exo,6-endo-bis(phenylsulfonyl)tricyclo<4.2.2.02,5>deca-3,9-diene

Conditions

Conditions	Yield
In 1,2-dichloro-benzene at 160℃; for 12h;	84%

: 629-20-9
1,3,5,7-cyclooctatetraene

: 132835-15-5
(Z)-1,4-bis(tert-butyldimethylsilanyloxy)but-2-ene

polymer; monomer(s): 1,3,5,7-cyclooctatetraene; cis-1,4-di(tert-butyldimethylsilyloxy)-2-butene: polymer; monomer(s): 1,3,5,7-cyclooctatetraene; cis-1,4-di(tert-butyldimethylsilyloxy)-2-butene

Conditions

Conditions	Yield
With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride In dichloromethane at 55℃; for 24h;	83%

: 629-20-9
1,3,5,7-cyclooctatetraene

: 22433-39-2
1-methyl-1-phenylallene

: 9-[(E)-1-phenylethylidene]bicyclo[4.2.2]deca-2,4,7-triene

Conditions

Conditions	Yield
With 1,2-bis-(diphenylphosphino)ethane; cobalt(II) iodide; zinc(II) iodide; zinc In 1,2-dichloro-ethane at 60℃; for 20h; Inert atmosphere; Sealed tube; stereoselective reaction;	83%

: 629-20-9
1,3,5,7-cyclooctatetraene

: 40339-20-6
buta-2,3-dienyl-benzene

: 9-[(E)-2-phenylethylidene]bicyclo[4.2.2]deca-2,4,7-triene

Conditions

Conditions	Yield
With 1,2-bis-(diphenylphosphino)ethane; cobalt(II) iodide; zinc(II) iodide; zinc In 1,2-dichloro-ethane at 60℃; for 20h; Inert atmosphere; Sealed tube; stereoselective reaction;	82%

: 629-20-9
1,3,5,7-cyclooctatetraene

: 766-82-5
1-ethynyl-3-methyl-benzene

: 7-(m-tolyl)bicyclo[4.2.2]deca-2,4,7,9-tetraene

Conditions

Conditions	Yield
With cobalt acetylacetonate; 1,2-bis-(diphenylphosphino)ethane; zinc(II) iodide; zinc In 1,2-dichloro-ethane at 60℃; for 20h; Sealed tube; Inert atmosphere;	82%

1,3,5,7-Cyclooctatetraene Specification

The Cyclooctatetraene, also known as [8]Annulene, is an unsaturated derivative of cyclooctane with the formula C₈H₈. It belongs to the product categories of Alkanes; Cyclic; Organic Building Blocks. Its EINECS registry number is 211-080-3. With the CAS registry number 629-20-9, its IUPAC name is 1,3,5,7-cyclooctatetraene(COT). This polyunsaturated hydrocarbon is a colorless to light yellow flammable liquid at room temperature.

Physical properties of Cyclooctatetraene: (1)ACD/LogP: 2.55; (2)ACD/LogD (pH 5.5): 2.55; (3)ACD/LogD (pH 7.4): 2.55; (4)ACD/BCF (pH 5.5): 51.13; (5)ACD/BCF (pH 7.4): 51.13; (6)ACD/KOC (pH 5.5): 581.68; (7)ACD/KOC (pH 7.4): 581.68; (8)Index of Refraction: 1.525; (9)Molar Refractivity: 35.3 cm³; (10)Molar Volume: 115.1 cm³; (11)Surface Tension: 38 dyne/cm; (12)Density: 0.904 g/cm³; (13)Flash Point: 22.2 °C; (14)Enthalpy of Vaporization: 36.21 kJ/mol; (15)Boiling Point: 140.5 °C at 760 mmHg; (16)Vapour Pressure: 7.64 mmHg at 25°C.

Preparation: Reppe's synthesis of cyclooctatetraene, which involves treating acetylene at high pressure with a warm mixture of nickel cyanide and calcium carbide, was much better, with chemical yields near 90%:

Cyclooctatetraene can be synthetized by acetylene at high pressure with a warm mixture of nickel cyanide and calcium carbide

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In addition, it may cause lung damage if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=CC=CC=C1
(2)Isomeric SMILES: C\1=C\C=C/C=C\C=C1
(3)InChI: InChI=1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-
(4)InChIKey: KDUIUFJBNGTBMD-DLMDZQPMSA-N

Product Name

1,3,5,7-Cyclooctatetraene

Synthetic route

1,3,5,7-Cyclooctatetraene Specification

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