1,4-Diethynylbenzene supplier

Name
1,4-Diethynylbenzene
EINECS
CAS No. 935-14-8
Article Data101
CAS DataBase
Density 1.009 g/cm³
Solubility
Melting Point 94-98 °C(lit.)
Formula C₁₀H₆
Boiling Point 182.812 °C at 760 mmHg
Molecular Weight 126.158
Flash Point 51.851 °C
Transport Information 51.851 °C
Appearance White or orange-brown crystalline powder
Safety 37/39
Risk Codes 43-52/53
Molecular Structure
Hazard Symbols Xi,F
Synonyms Benzene,p-diethynyl- (7CI,8CI);1,4-Bis(ethynyl)benzene;p-Diethynylbenzene;
PSA 0.00000
LogP 1.64920

Synthetic route

: 17938-13-5
1,4-Bis(trimethylsilylethynyl)benzene

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With potassium carbonate In methanol; dichloromethane at 20℃; for 1h;	100%
With water; potassium hydroxide In methanol for 1h;	100%
With potassium carbonate In methanol at 20℃;	97%

: 624-38-4
para-diiodobenzene

: 1066-54-2
trimethylsilylacetylene

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
Stage #1: para-diiodobenzene; trimethylsilylacetylene With triethylamine; copper(l) iodide; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran Sonogahira-Hagihara coupling reaction; Stage #2: With potassium carbonate In methanol	100%

: 77295-67-1
1,4-bis(2,2-dibromoethenyl)benzene

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃;	99%
With caesium carbonate; dimethyl sulfoxide at 115℃; for 12h;	95%
With Succinimide; potassium carbonate In dimethyl sulfoxide at 90℃; for 2h; Schlenk technique; Inert atmosphere;	84%

: 2344-53-8
1,4-bis(2-hydroxy-2-methyl-4-but-3-ynyl)benzene

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With potassium hydroxide In toluene for 3h; Reflux; Inert atmosphere; Darkness;	98%
With sodium isopropylate In isopropyl alcohol for 4.5h; Heating;	85%
With aluminum oxide; potassium hydroxide for 0.0166667h; microwave irradiation;	84%

: anti-3,3'-(1,4-phenylene)bis(2,3-dibromopropanoic acid)

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 115℃; for 12h;	98%

: 1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)-2-((4-((trimethylsilyl)ethynyl)phenyl)ethynyl)trisilane

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With potassium carbonate In tetrahydrofuran; methanol at 0℃; Inert atmosphere;	97%

: 623-27-8
terephthalaldehyde,

: 56506-90-2
(dibromomethyl)(triphenyl)phosphonium bromide

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
Stage #1: terephthalaldehyde,; (dibromomethyl)(triphenyl)phosphonium bromide With potassium tert-butylate In tetrahydrofuran at 20℃; for 0.0833333h; Wittig-type condensation; Stage #2: With potassium tert-butylate In tetrahydrofuran at -78℃; Elimination;	85%

: 52714-30-4
1,1'-(1,4-phenylene)bis(3-phenylprop-2-yn-1-one)

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With potassium hydroxide; water In benzene at 80℃;	83%

aqueous potassium hydroxide: aqueous potassium hydroxide

: 17938-13-5
1,4-Bis(trimethylsilylethynyl)benzene

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
In methanol; dichloromethane; water	78%

: 1009-61-6
1,4-Diacetylbenzene

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
Stage #1: 1,4-Diacetylbenzene With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 1h; Enolization; Stage #2: With diethyl chlorophosphate In tetrahydrofuran at -78℃; for 0.25h; Phosphorylation; Stage #3: With lithium diisopropyl amide In tetrahydrofuran at -78 - 20℃; for 4h; Dehydration;	77%
(i) PCl5, (ii) NaNH2, liq. NH3; Multistep reaction;

: 88248-70-8
(Z,Z)-1,4-bis(2-bromoethenyl)benzene

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 25℃; for 3h;	73%

: 106-37-6
1.4-dibromobenzene

: 1066-54-2
trimethylsilylacetylene

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
Stage #1: 1.4-dibromobenzene; trimethylsilylacetylene With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); triethylamine In tetrahydrofuran Sonogashira coupling; Inert atmosphere; Stage #2: With potassium hydroxide In methanol	72%
Sonogashira Cross-Coupling;

: 1,4-phenylenebis(methyleneisoxazolone)

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
at 750℃; for 1.5h; Pyrolysis;	72%

: 1453814-03-3
2-methyl-4-(4-(3-methyl-3-((2-nitrobenzyl)oxy)but-1-yn-1-yl)phenyl)but-3-yn-2-ol

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With potassium hydroxide In toluene at 110℃; for 12h; Inert atmosphere; UV-irradiation;	70%

: 1611483-95-4
tert-butyldimethyl((4-((trimethylsilyl)ethynyl)phenyl)ethynyl)silane

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With potassium trimethylsilonate In dimethyl sulfoxide at 70℃; for 12h; Sealed tube; Schlenk technique;	70%

: 25393-98-0
1,4-bis(1,2-dibromoethyl)benzene

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With potassium hydroxide; Aliquat 336 In xylene Heating;	63%
With potassium hydroxide
With potassium tert-butylate In tert-butyl alcohol for 1h; Heating;

: 1066-35-9
dimethylmonochlorosilane

: 16116-78-2
(4-bromophenyl)(trimethylsilyl)acetylene

A: 935-14-8
1,4-diethynylbenzene

B: 244307-32-2
(p-(dimethylsilyl)phenyl)acetylene

Conditions

Conditions	Yield
Stage #1: (4-bromophenyl)(trimethylsilyl)acetylene With potassium carbonate In methanol for 5h; Stage #2: With n-butyllithium In tetrahydrofuran at -78℃; Stage #3: dimethylmonochlorosilane In tetrahydrofuran	A n/a B 63%

...Expand

: (E)-3-Chloro-3-[4-((E)-1-chloro-3-oxo-propenyl)-phenyl]-propenal

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane; water at 80℃; for 0.5h;	41%

: 24936-01-4
1,4-diethynylcyclohexa-2,5-diene-1,4-diol

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With acetic acid; tin(ll) chloride at 40 - 45℃;
With tin(ll) chloride In acetic acid

: 24936-01-4
trans-1,4-diethynyl-1,4-dihydroxy-2,5-cyclohexadiene

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With sulfuric acid; tin(ll) chloride

: 1,4-Diethynyl-4-methoxy-cyclohexa-2,5-dienol

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With sulfuric acid; tin(ll) chloride

: 125757-06-4
1,4-di(1-chloroethenyl)benzene

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With sodium amide In ammonia for 7h; Yield given;

: C21H19Cl2NO2P(1+)*Cl(1-)

A: 20200-86-6
1,3,3-trimethyl-1,3-dihydro-2H-indol-2-one

B: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With sodium hydroxide Ambient temperature; Yields of byproduct given;
With sodium hydroxide Ambient temperature; Yield given;

: 105070-00-6
2,2'-bis-(1,3,3-trimethyl-1,3-dihydro-indol-2-ylidene)-1,1'-p-phenylene-bis-ethanone

A: 20200-86-6
1,3,3-trimethyl-1,3-dihydro-2H-indol-2-one

B: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With sodium hydroxide; trichlorophosphate 1. dioxane, 80 degC, 4h; Yield given. Multistep reaction. Yields of byproduct given;

: 106-37-6
1.4-dibromobenzene

: 115-19-5
2-methyl-but-3-yn-2-ol

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; potassium hydroxide; copper(l) iodide 2.) toluene, 100 deg C; Multistep reaction;

: 106-37-6
1.4-dibromobenzene

: 107-19-7
propargyl alcohol

A: 766-96-1
4-bromo-1-ethynylbenzene

B: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With manganese(IV) oxide; potassium hydroxide; copper diacetate; diisopropylamine; triphenylphosphine; palladium dichloride 1.) reflux, 3 h, 2.) CH2Cl2, Et2O, 90 min; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 624-38-4
para-diiodobenzene

: 994-89-8
tributylethynyltin

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 50℃;
With tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 110℃;

: 25393-98-0
1,4-bis(1,2-dibromoethyl)benzene

ethanolic KOH: ethanolic KOH

: 935-14-8
1,4-diethynylbenzene

: 624-38-4
para-diiodobenzene

: 935-14-8
1,4-diethynylbenzene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: copper(I) iodide; diisopropylamine; triethylamine / dichlorobis(triphenylphosphine)palladium(II) / tetrahydrofuran / 96 h / 60 °C 2: aq. potassium hydroxide / tetrahydrofuran; methanol / 1 h View Scheme
Multi-step reaction with 2 steps 1: 81 percent / TBAF / tetrahydrofuran View Scheme
Multi-step reaction with 2 steps 1: 93 percent / CuI; diisopropylamine / Pd(PPh3)4 / toluene / 24 h / 50 °C 2: 92 percent / K2CO3 / tetrahydrofuran; methanol / 1 h / 20 °C View Scheme

: 935-14-8
1,4-diethynylbenzene

: 536-74-3
phenylacetylene

star-poly(phenylacetylene), Mn: 37500 (GPC), Mw/Mn: 1.2 (GPC), methanol-insoluble; monomer(s): phenylacetylene; 1,4-diethynylbenzene: star-poly(phenylacetylene), Mn: 37500 (GPC), Mw/Mn: 1.2 (GPC), methanol-insoluble; monomer(s): phenylacetylene; 1,4-diethynylbenzene

Conditions

Conditions	Yield
Stage #1: phenylacetylene With triphenylvinyllithium; triphenylphosphine; [(nbd)RhCl]2 In diethyl ether; toluene at 30℃; for 0.5h; Stage #2: 1,4-diethynylbenzene In diethyl ether; toluene at 30℃; for 0.166667h;	100%

: 935-14-8
1,4-diethynylbenzene

: 1122-91-4
4-bromo-benzaldehyde

: 192188-70-8
4,4'-(1,4-phenylenebis(ethyne-2,1-diyl))dibenzaldehyde

Conditions

Conditions	Yield
With triethylamine; triphenylphosphine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide In tetrahydrofuran for 30h; Sonogashira coupling; Heating;	100%

: 583-55-1
1-Bromo-2-iodobenzene

: 935-14-8
1,4-diethynylbenzene

: 852066-26-3
1,4-bis((2-bromophenyl)ethynyl)benzene

Conditions

Conditions	Yield
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0) Sonogashira Cross-Coupling;	100%
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); triethylamine In acetonitrile at 80℃; for 12h; Sonogashira coupling; Inert atmosphere;	99%
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); triethylamine In acetonitrile at 80℃; for 12h; Sonogashira coupling; Inert atmosphere;	99%

: 919363-64-7
C23H20N8O4

: 935-14-8
1,4-diethynylbenzene

: 919363-69-2
C56H46N16O8

Conditions

Conditions	Yield
With copper(II) sulfate; sodium L-ascorbate; tris[(1-benzyl-1H-1,2,3-triazol-4yl)methyl]amine In water; acetone; tert-butyl alcohol at 20℃; for 24h;	100%

: 935-14-8
1,4-diethynylbenzene

: 878-06-8
1,4-di(2-iodoethynyl)benzene

Conditions

Conditions	Yield
With aluminum oxide; N-iodo-succinimide In acetonitrile at 80℃; for 1h; Molecular sieve;	99%
With N-iodo-succinimide; acetic acid In acetonitrile at 80℃; for 1.5h; Molecular sieve;	98%
With N-iodo-succinimide; acetic acid In acetonitrile at 80℃; for 1.5h; Molecular sieve;	98%

: 15391-01-2, 15076-72-9, 15390-92-8
trans-dichloro-bis(tri-n-butylphosphine)platinum(II)

: 935-14-8
1,4-diethynylbenzene

: trans-{Pt(PBu3)2CCC6H4CC-}n

Conditions

Conditions	Yield
With copper(l) iodide; diethylamine In tetrahydrofuran refluxed under N2; pptd., concd., dried (vac.), dissolved in CHCl3, poured into MeOH;	99%

: 84201-43-4
2-iodoprop-2-en-1-ol

: 935-14-8
1,4-diethynylbenzene

: 1272632-90-2
4,4'-(1,4-phenylene)bis(2-methylenebut-3-yn-1-ol)

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine at 65℃; for 16h; Sonogashira coupling; Inert atmosphere;	99%

: 935-14-8
1,4-diethynylbenzene

: 1-butyl-4-((4-iodophenyl)ethynyl)benzene

: 1,4-bis((4-(4-butylphenylethynyl)phenyl)ethynyl)benzene

Conditions

Conditions	Yield
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); triethylamine In toluene at 20℃; for 12h; Sonogashira Cross-Coupling; Inert atmosphere;	99%

: 935-14-8
1,4-diethynylbenzene

: 2–(3-phenylpropiolyl)benzaldehyde

: C42H22O2

Conditions

Conditions	Yield
Stage #1: 1,4-diethynylbenzene With n-butyllithium In tetrahydrofuran; hexane at 0℃; for 0.166667h; Inert atmosphere; Stage #2: 2–(3-phenylpropiolyl)benzaldehyde In tetrahydrofuran; hexane at -78 - 20℃; for 6h; Inert atmosphere; Stage #3: With hydrogenchloride In water at 20℃; for 3h; Inert atmosphere;	98.8%

: 106-37-6
1.4-dibromobenzene

: 935-14-8
1,4-diethynylbenzene

Poly(1,4-phenyleneethynylene): Poly(1,4-phenyleneethynylene)

Conditions

Conditions	Yield
With copper(l) iodide; di-n-propylamine; bis-triphenylphosphine-palladium(II) chloride at 75℃; for 0.666667h;	98%

: 33527-94-5
4-acetoxyiodobenzene

: 935-14-8
1,4-diethynylbenzene

: 1256281-23-8
1,4-bis(4-acetoxyphenyl)ethynylbenzene

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine at 20℃; for 18h; Inert atmosphere;	98%

: 123-75-1
pyrrolidine

: 50-00-0
formaldehyd

: 935-14-8
1,4-diethynylbenzene

A: 1-[3-(4-ethynylphenyl)prop-2-yn-1-yl]pyrrolidine

B: 1,4-bis[3-(pyrrolidin-1-yl)prop-1-yn-1-yl]benzene

Conditions

Conditions	Yield
With copper(I) (2-biphenyl)di-tert-butylphosphane-aniline hexaflurophosphate In toluene at 50℃; under 1500.15 Torr; Reagent/catalyst; Solvent; Time; Inert atmosphere;	A n/a B 98%

...Expand

: 935-14-8
1,4-diethynylbenzene

: 100-44-7
benzyl chloride

: 1248568-43-5
1-benzyl-4-(4-ethynylphenyl)-1H-1,2,3-triazole

Conditions

Conditions	Yield
With sodium azide In water at 20℃; for 2h; Huisgen Cycloaddition; Green chemistry;	98%

: 16352-18-4
4,4,5,5-tetramethyl<1,3,2>dioxaphospholane-2-oxide

: 935-14-8
1,4-diethynylbenzene

: C22H32O6P2

Conditions

Conditions	Yield
With tris(triphenylphosphine)rhodium(I) chloride In acetone at 25℃; for 20h;	97%

: 1028208-44-7
C15H27N3O6

: 935-14-8
1,4-diethynylbenzene

: 1095278-08-2
C40H60N6O12

Conditions

Conditions	Yield
With sodium 2-(1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydro-furan-3-olate; water; N-ethyl-N,N-diisopropylamine In tetrahydrofuran; water Inert atmosphere;	97%

: 935-14-8
1,4-diethynylbenzene

: 4016-63-1
8-bromoguanosine

: 1190592-50-7
8,8'-[benzene-1,4-diyl-di(ethyn-2,1-diyl)]diguanosine

Conditions

Conditions	Yield
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); triethylamine In N,N-dimethyl-formamide at 70℃; for 16h; Sonogashira-Hagihara coupling; Inert atmosphere;	97%

: 13329-40-3
4-Iodoacetophenone

: 935-14-8
1,4-diethynylbenzene

: 1,4-Bis(4-acetylphenylethynyl)benzene

Conditions

Conditions	Yield
With C16H20Cl2N2O2Pd; potassium hydroxide In water; acetonitrile at 20℃; for 1h; Sonogashira Cross-Coupling;	97%
With 2,2′-(1,2-phenylene)bis(4,4-di-methyl-4,5-dihydrooxazole)-N,N′-dichloridopalladium(II); potassium hydroxide In water; acetonitrile at 20℃; for 1h; Sonogashira Cross-Coupling;	97%
With 1,4-diaza-bicyclo[2.2.2]octane; palladium diacetate; silica gel for 0.333333h; Sonogashira coupling; Neat (no solvent); ball mill; chemoselective reaction;	69 %Spectr.

: 935-14-8
1,4-diethynylbenzene

: 1244804-05-4, 935747-92-5
1,4-di(1H-1,2,3-triazol-4-yl)benzene

Conditions

Conditions	Yield
With sodium azide In water at 100℃; Green chemistry; regioselective reaction;	97%
With copper(l) iodide; trimethylsilylazide In methanol; N,N-dimethyl-formamide at 90℃; for 44h; Inert atmosphere;	82%

: 935-14-8
1,4-diethynylbenzene

: 856827-93-5
PPh3*B(C6F5)3

: 1257311-31-1
E-HCtCC6H4C(PPh3)=C(H)B(C6F5)3

Conditions

Conditions	Yield
In dichloromethane (N2); addn. of acetylene deriv. to CH2Cl2 suspn. of triphenylphosphine-borane deriv., stirring overnight; concg., layering with pentane, cooling to -35°C overnight, isolation of ppt., elem. anal.;	97%
In dichloromethane Inert atmosphere;	97%

: 1120-90-7
3-iodopyridine

: 935-14-8
1,4-diethynylbenzene

: 271250-99-8
1,4-bis(pyridin-3-ylethynyl)benzene

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; caesium carbonate In N,N-dimethyl-formamide at 50℃; for 48h; Sonogashira coupling;	97%
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In tetrahydrofuran at 20℃; for 18h; Sonogashira coupling; Inert atmosphere;	65%

: 935-14-8
1,4-diethynylbenzene

: 6630-33-7
ortho-bromobenzaldehyde

: 1301742-81-3
2,2'-(1,4-phenylenebis(ethyne-2,1-diyl))dibenzaldehyde

Conditions

Conditions	Yield
Stage #1: ortho-bromobenzaldehyde With bis-triphenylphosphine-palladium(II) chloride; triethylamine In tetrahydrofuran at 20℃; for 0.166667h; Sonogashira Cross-Coupling; Stage #2: 1,4-diethynylbenzene With copper(l) iodide In tetrahydrofuran at 20℃; for 24h; Sonogashira Cross-Coupling;	97%
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); triethylamine In acetonitrile at 80℃; for 18h; Sonogashira coupling; Inert atmosphere;	80%

: 16029-98-4
trimethylsilyl iodide

: 935-14-8
1,4-diethynylbenzene

: 17938-13-5
1,4-Bis(trimethylsilylethynyl)benzene

Conditions

Conditions	Yield
With [{Ir(μ-Cl)(CO)2}2]; N-ethyl-N,N-diisopropylamine In toluene at 80℃; for 24h; Inert atmosphere;	97%

: 935-14-8
1,4-diethynylbenzene

: 100-39-0
benzyl bromide

: 115415-19-5
1-benzyl-4-(4-(1-benzyl-1H-1,2,3-triazole-4-yl)phenyl)-1H-1,2,3-triazole

Conditions

Conditions	Yield
With sodium azide; [CuI(3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane)3] In water; acetonitrile at 125℃; for 0.25h; Catalytic behavior; Huisgen Cycloaddition; Sealed tube; Microwave irradiation;	97%
With sodium azide; [(tris(3,5-dimethyl-1-pyrazolyl)methane)2Cu](BF4)2 In methanol; water at 125℃; for 0.5h; Catalytic behavior; Microwave irradiation;	95%
With sodium azide In water at 40℃; for 3h;	89%

: 935-14-8
1,4-diethynylbenzene

: 4559-70-0
Diphenylphosphine oxide

: 1,4-<1,2-bis(diphenylphosphinoxido)ethyl>ethynylbenzene

Conditions

Conditions	Yield
With potassium hydroxide; tetrabutylammomium bromide In water; benzene for 1h;	96.5%

1,4-Diethynylbenzene Specification

The 1,4-Diethynylbenzene, with the CAS registry number 935-14-8, is also known as Benzene, 1,4-diethynyl-. It belongs to the product categories of Miscellaneous Natural Products; Acetylenes; Acetylenic Hydrocarbons Having Benzene Ring; Building Blocks for Liquid Crystals; Chalcones, etc. (Building Blocks for Liquid Crystals); Fluorenes, etc. (reagent for high-performance polymer research); Functional Materials; Reagent for High-Performance Polymer Research; Alkynes; Organic Building Blocks; Terminal. This chemical's molecular formula is C₁₀H₆ and molecular weight is 126.15. What's more, its IUPAC name is the same with its product name. It should be stored in a cool, dry and well-ventilated place.

Physical properties about 1,4-Diethynylbenzene are: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.23; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 167.71; (6)ACD/BCF (pH 7.4): 167.71; (7)ACD/KOC (pH 5.5): 1361.27; (8)ACD/KOC (pH 7.4): 1361.27; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 40.875 cm³; (15)Molar Volume: 125.075 cm³; (16)Surface Tension: 43.35 dyne/cm; (17)Density: 1.009 g/cm³; (18)Flash Point: 51.851 °C; (19)Enthalpy of Vaporization: 40.188 kJ/mol; (20)Boiling Point: 182.812 °C at 760 mmHg; (21)Vapour Pressure: 1.085 mmHg at 25 °C.

Preparation of 1,4-Diethynylbenzene: this chemical can be prepared by 1,4-Bis-(trimethylsilyl-aethinyl)-benzol. This reaction needs reagent K₂CO₃ and solvent methanol at temperature of 20 °C. The yield is 97 %.

1,4-Diethynylbenzene can be prepared by 1,4-Bis-(trimethylsilyl-aethinyl)-benzol.

Uses of 1,4-Diethynylbenzene: it is used to produce other chemicals. For example, it can react with cis-1,2-dichloro-ethene to get 1,4-Bis-(4-chloro-but-3-en-1-ynyl)-benzene. The reaction occurs with reagents n-BuNH₂, copper(II) acetate, Pd(PPh₃)₂Cl₂ and solvent toluene at ambient temperature. The yield is 70 %.

1,4-Diethynylbenzene can react with cis-1,2-dichloro-ethene to get 1,4-Bis-(4-chloro-but-3-en-1-ynyl)-benzene.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. It may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. It may cause sensitisation by skin contacting. In addition, the production is harmful to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Therefore, you should wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: C#Cc1ccc(cc1)C#C
(2) InChI: InChI=1S/C10H6/c1-3-9-5-7-10(4-2)8-6-9/h1-2,5-8H
(3) InChIKey: MVLGANVFCMOJHR-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	unreported	4500mg/kg (4500mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(5), Pg. 59, 1986.

Product Name

1,4-Diethynylbenzene

Synthetic route

1,4-Diethynylbenzene Specification

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