Product Name

  • Name

    Cyanoacetylene

  • EINECS
  • CAS No. 1070-71-9
  • Article Data42
  • CAS DataBase
  • Density 0.925 g/cm3
  • Solubility Soluble in ethanol, insoluble in water
  • Melting Point 5℃
  • Formula C3HN
  • Boiling Point 42.5 °C at 760 mmHg
  • Molecular Weight 51.0476
  • Flash Point -30.497 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 1070-71-9 (Cyanoacetylene)
  • Hazard Symbols
  • Synonyms Propiolonitrile(6CI,8CI);2-Propynenitrile (9CI);Monocyanoacetylene;Propynenitrile;
  • PSA 23.79000
  • LogP 0.14318

Synthetic route

Propionamid
79-05-0

Propionamid

propiolonitrile
1070-71-9

propiolonitrile

Conditions
ConditionsYield
With phosphorus pentoxide; silica gel at 140℃; for 1h;97%
2-propynamide
7341-96-0

2-propynamide

propiolonitrile
1070-71-9

propiolonitrile

Conditions
ConditionsYield
With phosphorus pentaoxide85%
With phosphorus pentoxide at 180℃;70%
With phosphorus pentoxide at 120℃;61%
P-toluenesulfonyl cyanide
19158-51-1

P-toluenesulfonyl cyanide

tributylethynyltin
994-89-8

tributylethynyltin

propiolonitrile
1070-71-9

propiolonitrile

Conditions
ConditionsYield
37%
Cellocidin
543-21-5

Cellocidin

A

propiolonitrile
1070-71-9

propiolonitrile

B

2-butynedinitrile
1071-98-3

2-butynedinitrile

Conditions
ConditionsYield
With phosphorus pentoxide at 100 - 370℃; self-propagating stationary heat wave mode;A n/a
B 33%
2-amino-4-phenyl-4H-pyran-3,5-dicarbonitrile
101342-39-6

2-amino-4-phenyl-4H-pyran-3,5-dicarbonitrile

A

propiolonitrile
1070-71-9

propiolonitrile

B

(E)-2-cyano-3-phenylacrylamide
709-79-5, 148238-27-1, 15795-18-3

(E)-2-cyano-3-phenylacrylamide

C

1,3-Dicyano-4-phenyl-cyclobut-2-enecarboxylic acid amide

1,3-Dicyano-4-phenyl-cyclobut-2-enecarboxylic acid amide

Conditions
ConditionsYield
In dichloromethane for 1h; Irradiation;A 22%
B 17%
C 23%
α-picoline
109-06-8

α-picoline

A

methane
34557-54-5

methane

B

hydrogen cyanide
74-90-8

hydrogen cyanide

C

propiolonitrile
1070-71-9

propiolonitrile

D

1,3-cyclopentadiene-1-carbonitrile
20830-58-4

1,3-cyclopentadiene-1-carbonitrile

E

acetylene
74-86-2

acetylene

Conditions
ConditionsYield
In gas at 1350 - 1500℃; under 10640 - 12160 Torr; Mechanism; Product distribution; single-pulse shock tube experiments;
Butadiyne
460-12-8

Butadiyne

cyanoacetylene cation radical
1070-71-9

cyanoacetylene cation radical

A

propiolonitrile
1070-71-9

propiolonitrile

B

diacetylene radical cation
460-12-8

diacetylene radical cation

C

Hexa-1,3,5-triyne
3161-99-7

Hexa-1,3,5-triyne

D

Buta-1,3-diyne; compound with buta-1,3-diyne

Buta-1,3-diyne; compound with buta-1,3-diyne

Conditions
ConditionsYield
In various solvent(s) at 23.9℃; under 0.3 Torr; Product distribution; Rate constant; in a Selected-Ion Flow Tube (SIFT) apparatus;
3,4-Didehydropyridine
7129-66-0

3,4-Didehydropyridine

A

Butadiyne
460-12-8

Butadiyne

B

propiolonitrile
1070-71-9

propiolonitrile

C

acetylene
74-86-2

acetylene

Conditions
ConditionsYield
at -260.2℃; for 0.5h; Irradiation; photolysis, λ>210 nm;
C3(3)HN
100312-97-8

C3(3)HN

propiolonitrile
1070-71-9

propiolonitrile

Conditions
ConditionsYield
With amine buffer; water at 25℃; Rate constant; μ = 0.10 M;
acrylonitrile
107-13-1

acrylonitrile

A

propiolonitrile
1070-71-9

propiolonitrile

B

C2H2*CHN

C2H2*CHN

Conditions
ConditionsYield
In gas Product distribution; Irradiation;
acrylonitrile
107-13-1

acrylonitrile

A

ethene
74-85-1

ethene

B

propiolonitrile
1070-71-9

propiolonitrile

C

acetylene
74-86-2

acetylene

Conditions
ConditionsYield
at 876.9 - 1176.9℃; Product distribution; Kinetics;
cyanoacetylene cation radical
1070-71-9

cyanoacetylene cation radical

acetylene
74-86-2

acetylene

A

hydrogen cyanide
74-90-8

hydrogen cyanide

B

propiolonitrile
1070-71-9

propiolonitrile

C

diacetylene radical cation
460-12-8

diacetylene radical cation

D

acetylene cation radical
74-86-2

acetylene cation radical

Conditions
ConditionsYield
In various solvent(s) at 23.9℃; under 0.3 - 0.4 Torr; Product distribution; Rate constant; in a Selected-Ion Flow Tube (SIFT) apparatus;
acetylene
74-86-2

acetylene

A

3-buten-1-yne
689-97-4

3-buten-1-yne

B

Butadiyne
460-12-8

Butadiyne

C

propiolonitrile
1070-71-9

propiolonitrile

D

benzene
71-43-2

benzene

Conditions
ConditionsYield
With hydrogen cyanide In gas Irradiation; C2H2:HCN = 1 : 5; 37 percent of the light is absorbed by HCN; Further byproducts given;
pyridine
110-86-1

pyridine

A

3-buten-1-yne
689-97-4

3-buten-1-yne

B

Butadiyne
460-12-8

Butadiyne

C

hydrogen cyanide
74-90-8

hydrogen cyanide

D

propiolonitrile
1070-71-9

propiolonitrile

E

acrylonitrile
107-13-1

acrylonitrile

F

acetylene
74-86-2

acetylene

Conditions
ConditionsYield
With sulphur hexafluoride Product distribution; Mechanism; laser pyrolysis (IR LPHP method, 1100-1150 K); 2-, 3-, 4-bromopyridine investigated (at ca. 1000 K);
PYRIMIDINE
289-95-2

PYRIMIDINE

A

hydrogen cyanide
74-90-8

hydrogen cyanide

B

propiolonitrile
1070-71-9

propiolonitrile

C

acrylonitrile
107-13-1

acrylonitrile

D

acetylene
74-86-2

acetylene

Conditions
ConditionsYield
With sulphur hexafluoride Product distribution; Mechanism; laser pyrolysis (IR LPHP method, 1100-1150 K); 5-bromopyrimidine and pyrazine investigated;
indole
120-72-9

indole

A

Butadiyne
460-12-8

Butadiyne

B

propiolonitrile
1070-71-9

propiolonitrile

C

phenylacetonitrile
140-29-4

phenylacetonitrile

D

benzonitrile
100-47-0

benzonitrile

E

acetonitrile
75-05-8

acetonitrile

F

acetylene
74-86-2

acetylene

Conditions
ConditionsYield
With 2,2,2-trifluoroethanol at 776.9 - 1361.9℃; Product distribution; Rate constant; Mechanism; Arrhenius parameters;
acrylonitrile
107-13-1

acrylonitrile

A

hydrogen cyanide
74-90-8

hydrogen cyanide

B

propiolonitrile
1070-71-9

propiolonitrile

C

vinylidene biradical
2143-69-3, 67321-66-8

vinylidene biradical

D

vinyl radical
2669-89-8

vinyl radical

E

cyanovinylidene

cyanovinylidene

F

acetylene
74-86-2

acetylene

Conditions
ConditionsYield
In gas Mechanism; Irradiation;
quinoline
91-22-5

quinoline

A

Butadiyne
460-12-8

Butadiyne

B

propiolonitrile
1070-71-9

propiolonitrile

C

benzonitrile
100-47-0

benzonitrile

D

phenylacetylene
536-74-3

phenylacetylene

E

acetylene
74-86-2

acetylene

F

benzene
71-43-2

benzene

Conditions
ConditionsYield
In gaseous matrix at 1051.85℃; Product distribution; other temperatures;
isoquinoline
119-65-3

isoquinoline

A

Butadiyne
460-12-8

Butadiyne

B

propiolonitrile
1070-71-9

propiolonitrile

C

benzonitrile
100-47-0

benzonitrile

D

phenylacetylene
536-74-3

phenylacetylene

E

acetylene
74-86-2

acetylene

F

benzene
71-43-2

benzene

Conditions
ConditionsYield
In gaseous matrix at 1061.85℃; Product distribution; other temperatures;
α-picoline
109-06-8

α-picoline

A

methane
34557-54-5

methane

B

hydrogen cyanide
74-90-8

hydrogen cyanide

C

propiolonitrile
1070-71-9

propiolonitrile

D

acrylonitrile
107-13-1

acrylonitrile

E

acetonitrile
75-05-8

acetonitrile

F

acetylene
74-86-2

acetylene

G

further products: ethane, ethene, cyanovinylacetylenisomers, 1-cyanocylopentadiene, hydrogen

further products: ethane, ethene, cyanovinylacetylenisomers, 1-cyanocylopentadiene, hydrogen

Conditions
ConditionsYield
In gas at 1350 - 1500℃; under 10640 - 12160 Torr; Kinetics; Product distribution; single-pulse shock tube experiments;
pyridine
110-86-1

pyridine

A

propiolonitrile
1070-71-9

propiolonitrile

B

acetylene
74-86-2

acetylene

C

HCN

HCN

Conditions
ConditionsYield
at 1471.9 - 1938.9℃; under 107 - 140 Torr; Product distribution; various temperature and pressure, laser-schlieren densitometry and time-of-flight MS techniques, effect of H2 addition;
PYRIMIDINE
289-95-2

PYRIMIDINE

A

propiolonitrile
1070-71-9

propiolonitrile

B

acetylene
74-86-2

acetylene

C

HCN

HCN

Conditions
ConditionsYield
at 1405.9 - 2027.9℃; under 136 - 214 Torr; Product distribution; various temperature and pressure, laser-schlieren densitometry and time-of-flight MS techniques, effect of H2 addition;
1,4-pyrazine
290-37-9

1,4-pyrazine

A

propiolonitrile
1070-71-9

propiolonitrile

B

acetylene
74-86-2

acetylene

C

HCN

HCN

Conditions
ConditionsYield
at 1415.9 - 2088.9℃; under 131 - 198 Torr; Product distribution; Thermodynamic data; various temperature and pressure, laser-schlieren densitometry and time-of-flight MS techniques, effect of H2 addition;
PYRIMIDINE
289-95-2

PYRIMIDINE

A

propiolonitrile
1070-71-9

propiolonitrile

B

acrylonitrile
107-13-1

acrylonitrile

C

acetylene
74-86-2

acetylene

D

HCN

HCN

Conditions
ConditionsYield
at 976.9 - 1326.9℃; under 9880 - 11400 Torr; Product distribution; Mechanism;
pyridine
110-86-1

pyridine

A

3-buten-1-yne
689-97-4

3-buten-1-yne

B

Butadiyne
460-12-8

Butadiyne

C

methane
34557-54-5

methane

D

hydrogen cyanide
74-90-8

hydrogen cyanide

E

propiolonitrile
1070-71-9

propiolonitrile

F

acetylene
74-86-2

acetylene

G

PhCN, C2H4, cyanovinylacetylene, C6H6, C6H2, C3H4, CH3CN, H2CCHCN

PhCN, C2H4, cyanovinylacetylene, C6H6, C6H2, C3H4, CH3CN, H2CCHCN

Conditions
ConditionsYield
at 926.9 - 1526.9℃; under 7 - 11 Torr; Kinetics; Mechanism; Product distribution; shock tube pyrolysis in Argon;
Cellocidin
543-21-5

Cellocidin

A

propiolonitrile
1070-71-9

propiolonitrile

B

CO2, HCN, N2, C2N2

CO2, HCN, N2, C2N2

Conditions
ConditionsYield
With phosphorus pentoxide at 20 - 370℃; Product distribution; self-propagating stationary heat wave mode, other initial temp., var. initial concentration;A 0.003 g
B n/a
ethene
74-85-1

ethene

cyanoacetylene cation radical
1070-71-9

cyanoacetylene cation radical

A

propiolonitrile
1070-71-9

propiolonitrile

C

vinyl radical
2669-89-8

vinyl radical

D

ethylene cation radical
74-85-1

ethylene cation radical

E

(H2C3N)+, (C2H4)2+.

(H2C3N)+, (C2H4)2+.

Conditions
ConditionsYield
In various solvent(s) at 23.9℃; under 0.3 - 0.4 Torr; Product distribution; Rate constant; in a Selected-Ion Flow Tube (SIFT) apparatus;
carbon oxide sulfide
463-58-1

carbon oxide sulfide

cyanoacetylene cation radical
1070-71-9

cyanoacetylene cation radical

A

propiolonitrile
1070-71-9

propiolonitrile

B

carbon monoxide
201230-82-2

carbon monoxide

D

(HC3NS)+.

(HC3NS)+.

Conditions
ConditionsYield
In various solvent(s) at 23.9℃; under 0.3 - 0.4 Torr; Product distribution; Rate constant; in a Selected-Ion Flow Tube (SIFT) apparatus;
Propargylamine
2450-71-7

Propargylamine

A

propiolonitrile
1070-71-9

propiolonitrile

B

trans-prop-2-ynylideneamine
91454-80-7, 97813-90-6, 97813-91-7

trans-prop-2-ynylideneamine

C

acrylonitrile
107-13-1

acrylonitrile

D

acetonitrile
75-05-8

acetonitrile

E

NH3

NH3

Conditions
ConditionsYield
With N-chloro-succinimide; potassium tert-butylate 2) 60 deg C, 1 h; Multistep reaction;
pyrrolidine
123-75-1

pyrrolidine

propiolonitrile
1070-71-9

propiolonitrile

(Z)-β-pyrrolidino acrylonitrile
128957-41-5

(Z)-β-pyrrolidino acrylonitrile

Conditions
ConditionsYield
In diethyl ether at 0℃;100%
piperidine
110-89-4

piperidine

propiolonitrile
1070-71-9

propiolonitrile

(Z)-β-piperidino acrylonitrile
87429-51-4

(Z)-β-piperidino acrylonitrile

Conditions
ConditionsYield
In diethyl ether at 0℃;100%
propiolonitrile
1070-71-9

propiolonitrile

triethylstannane
997-50-2

triethylstannane

α-Triethylstannyl-acrylnitril
4341-77-9

α-Triethylstannyl-acrylnitril

Conditions
ConditionsYield
20°C, 1 h;;100%
20°C, 1 h;;100%
propiolonitrile
1070-71-9

propiolonitrile

(+)-pinanediol (1R)-2-azido-1-[(2-thienylacetyl)amino]ethaneboronate

(+)-pinanediol (1R)-2-azido-1-[(2-thienylacetyl)amino]ethaneboronate

(+)-pinanediol (1R)-2-[4-cyano[1,2,3]triazol-1-yl]-1-(2- thienylacetylamino)ethaneboronate

(+)-pinanediol (1R)-2-[4-cyano[1,2,3]triazol-1-yl]-1-(2- thienylacetylamino)ethaneboronate

Conditions
ConditionsYield
With copper(II) sulfate; sodium L-ascorbate In water; tert-butyl alcohol at 60℃; for 2h; Inert atmosphere; Sealed tube;99%
propiolonitrile
1070-71-9

propiolonitrile

(Z)-3-Iodopropenenitrile
137627-62-4

(Z)-3-Iodopropenenitrile

Conditions
ConditionsYield
With acetic acid; lithium iodide at 70℃; for 24h;98%
propiolonitrile
1070-71-9

propiolonitrile

thiophenol
108-98-5

thiophenol

3-(Phenylthio)propenenitrile
90322-80-8

3-(Phenylthio)propenenitrile

Conditions
ConditionsYield
With ionic liquid [bmim]BF4 stabilized magnetic cobalt nanoparticles In neat (no solvent) at 20℃; for 0.333333h; Michael Addition;98%
1-methyl-piperazine
109-01-3

1-methyl-piperazine

propiolonitrile
1070-71-9

propiolonitrile

C8H13N3

C8H13N3

Conditions
ConditionsYield
With ionic liquid [bmim]BF4 stabilized magnetic cobalt nanoparticles In neat (no solvent) at 20℃; for 0.416667h; Michael Addition;98%
propiolonitrile
1070-71-9

propiolonitrile

[4aS-(4aα,6β,8aR*)]-4a,5,9,10-tetrahydro-3-methoxy-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-ol 11-oxide

[4aS-(4aα,6β,8aR*)]-4a,5,9,10-tetrahydro-3-methoxy-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-ol 11-oxide

[4aS-(4aα,6β,8aR*,14aS*)]-4a,5,9,10-tetrahydro-6-hydroxy-3-methoxy-6H,14aH-benzofuro[3a,3,2-ef]isoxazolo[3,2-a][2]benzazepine-14-carbonitrile

[4aS-(4aα,6β,8aR*,14aS*)]-4a,5,9,10-tetrahydro-6-hydroxy-3-methoxy-6H,14aH-benzofuro[3a,3,2-ef]isoxazolo[3,2-a][2]benzazepine-14-carbonitrile

Conditions
ConditionsYield
In toluene at 20℃; for 168h;97%
propiolonitrile
1070-71-9

propiolonitrile

C3HN2S2(1+)*AsF6(1-)

C3HN2S2(1+)*AsF6(1-)

Conditions
ConditionsYield
With dithionitronium hexafluoroarsenate In liquid sulphur dioxide96%
With dithionitronium hexafluoroarsenate Yield given;
{η2-(bis(trimethylsilyl)acetylene)}di-(η5-cyclopentadienyl)hydridotantalum

{η2-(bis(trimethylsilyl)acetylene)}di-(η5-cyclopentadienyl)hydridotantalum

propiolonitrile
1070-71-9

propiolonitrile

{η2-(bis(trimethylsilyl)acetylene)}{η1-(1-cyanethenyl)}di(η5-cyclopentadienyl)tantalum

{η2-(bis(trimethylsilyl)acetylene)}{η1-(1-cyanethenyl)}di(η5-cyclopentadienyl)tantalum

Conditions
ConditionsYield
In toluene (N2); added cyanacetylene to a soln. of Ta-complex; evapd. after 1 h; elem. anal.;96%
propiolonitrile
1070-71-9

propiolonitrile

aniline
62-53-3

aniline

β-phenylaminoacrylonitrile
4818-39-7

β-phenylaminoacrylonitrile

Conditions
ConditionsYield
With ionic liquid [bmim]BF4 stabilized magnetic cobalt nanoparticles In neat (no solvent) at 20℃; for 0.5h; Michael Addition;96%
propiolonitrile
1070-71-9

propiolonitrile

N-methylaniline
100-61-8

N-methylaniline

3-(methylphenylamino)-2-propenenitrile
107591-19-5

3-(methylphenylamino)-2-propenenitrile

Conditions
ConditionsYield
With ionic liquid [bmim]BF4 stabilized magnetic cobalt nanoparticles In neat (no solvent) at 20℃; for 0.466667h; Michael Addition;96%
propiolonitrile
1070-71-9

propiolonitrile

2-thiocresol
137-06-4

2-thiocresol

C10H9NS

C10H9NS

Conditions
ConditionsYield
With ionic liquid [bmim]BF4 stabilized magnetic cobalt nanoparticles In neat (no solvent) at 20℃; for 0.416667h; Michael Addition;95%
morpholine
110-91-8

morpholine

propiolonitrile
1070-71-9

propiolonitrile

1-morpholino-2-cyanoethylene
5817-82-3

1-morpholino-2-cyanoethylene

Conditions
ConditionsYield
With ionic liquid [bmim]BF4 stabilized magnetic cobalt nanoparticles In neat (no solvent) at 20℃; for 0.466667h; Michael Addition;95%
propiolonitrile
1070-71-9

propiolonitrile

dimethyl amine
124-40-3

dimethyl amine

3-dimethylaminoacrylonitrile
2407-68-3

3-dimethylaminoacrylonitrile

Conditions
ConditionsYield
In water at 20℃; for 20h;94%
propiolonitrile
1070-71-9

propiolonitrile

5-methyl-4-azahomoadamant-4-ene N-oxide
137936-70-0

5-methyl-4-azahomoadamant-4-ene N-oxide

methyl 5-cyano-3-oxa-2-azatetracyclo<7.3.1.17,11.02,6>tetradec-4-ene
137936-75-5

methyl 5-cyano-3-oxa-2-azatetracyclo<7.3.1.17,11.02,6>tetradec-4-ene

Conditions
ConditionsYield
In toluene at 20 - 25℃; for 0.5h;93%
In toluene for 0.5h; Ambient temperature;93%
propiolonitrile
1070-71-9

propiolonitrile

cyclopenta-1,3-diene
542-92-7

cyclopenta-1,3-diene

bicyclo[2.2.1]hepta-2,5-diene-2-carbonitrile
39863-20-2

bicyclo[2.2.1]hepta-2,5-diene-2-carbonitrile

Conditions
ConditionsYield
In dichloromethane for 12h; Ambient temperature;90%
propiolonitrile
1070-71-9

propiolonitrile

2-(9,10-Dihydro-10-oxo-9-anthracenylio)-3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-id
79536-75-7

2-(9,10-Dihydro-10-oxo-9-anthracenylio)-3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-id

2-Phenyl-6-cyano-2,3-dihydrospiro[anthracene-9,5-pyrazolo[1,2-a]-1,2,4-triazole]-1,3,10-trione

2-Phenyl-6-cyano-2,3-dihydrospiro[anthracene-9,5-pyrazolo[1,2-a]-1,2,4-triazole]-1,3,10-trione

Conditions
ConditionsYield
In benzene at 20℃; Cycloaddition;90%
propiolonitrile
1070-71-9

propiolonitrile

trimethylstannane
1631-73-8

trimethylstannane

α-Trimethylstannyl-acrylnitril
3422-65-9

α-Trimethylstannyl-acrylnitril

Conditions
ConditionsYield
25°C, 1 h;;90%
25°C, 1 h;;90%
propiolonitrile
1070-71-9

propiolonitrile

tri-n-butyl-tin hydride
688-73-3

tri-n-butyl-tin hydride

α-Tri-n-butyl-stannyl-acrylnitril
3422-66-0

α-Tri-n-butyl-stannyl-acrylnitril

Conditions
ConditionsYield
0°C;;90%
0°C;;90%
In methanol 65°C, 15 h;;38%
In methanol 65°C, 15 h;;38%
propiolonitrile
1070-71-9

propiolonitrile

C18H17NO4

C18H17NO4

C21H18N2O4

C21H18N2O4

Conditions
ConditionsYield
With C38H47N4P In toluene at -78℃; for 3h; Michael Addition; enantioselective reaction;88%
nido-decaborane
17702-41-9

nido-decaborane

propiolonitrile
1070-71-9

propiolonitrile

bis(triphenylphosphine)iminium chloride
21050-13-5

bis(triphenylphosphine)iminium chloride

(C6H5)3PNP(C6H5)3(1+)*(NC)C2B10H14(1-) = (C6H5)3PNP(C6H5)3{(NC)C2B10H14}

(C6H5)3PNP(C6H5)3(1+)*(NC)C2B10H14(1-) = (C6H5)3PNP(C6H5)3{(NC)C2B10H14}

Conditions
ConditionsYield
With KH In tetrahydrofuran to the borane and KH THF is vacuum destilled at -196°C; warming to room temp.; filtn. (N2); cyanoacetylene (THF) is added at 0°C; stirred for 14 h at 0°C; PPNCl is added; stirred at room temp. for 1 h; THF is vacuum evaporated; CH2Cl2 is added; filtered; diethyl ether is added; filtered again; heptane is addded slowly with stirring; slow evapn. of solvent; elem. anal.;87.1%
propiolonitrile
1070-71-9

propiolonitrile

cyclohexa-1,3-diene
1165952-91-9

cyclohexa-1,3-diene

2-cyanobicyclo<2.2.2>octa-2,5-diene
39863-23-5

2-cyanobicyclo<2.2.2>octa-2,5-diene

Conditions
ConditionsYield
In dichloromethane at 50℃; under 7050560 Torr; for 24h;87%
hexan-1-amine
111-26-2

hexan-1-amine

propiolonitrile
1070-71-9

propiolonitrile

N-hexyl-3-aminoacrylonitrile

N-hexyl-3-aminoacrylonitrile

Conditions
ConditionsYield
In diethyl ether87%
propiolonitrile
1070-71-9

propiolonitrile

rac-3'-(4',5'-dihydroxyethyl)-1',2',3',N-tetrahydroimidazo[1',3']-2''-aminooxazolo[1',2']-pyrimidine-4-carboxamide

rac-3'-(4',5'-dihydroxyethyl)-1',2',3',N-tetrahydroimidazo[1',3']-2''-aminooxazolo[1',2']-pyrimidine-4-carboxamide

4-(4-amino-2-oxopyrimidin-1(2H)-yl)-2-((R)-1,2-dihydroxyethyl)-3-hydroxy-1,2,3,4-tetrahydroimidazo[1,5-a]-pyrimidine-8-carboxamide

4-(4-amino-2-oxopyrimidin-1(2H)-yl)-2-((R)-1,2-dihydroxyethyl)-3-hydroxy-1,2,3,4-tetrahydroimidazo[1,5-a]-pyrimidine-8-carboxamide

Conditions
ConditionsYield
In water at 60℃; for 24h;87%
propiolonitrile
1070-71-9

propiolonitrile

4-iso-butyl-2-(4-methoxyphenyl)-5-oxo-4,5-dihydrooxazole
217446-37-2

4-iso-butyl-2-(4-methoxyphenyl)-5-oxo-4,5-dihydrooxazole

C17H18N2O3

C17H18N2O3

Conditions
ConditionsYield
With C38H47N4P In toluene at -78℃; for 22h; Michael Addition; enantioselective reaction;87%
propiolonitrile
1070-71-9

propiolonitrile

4-benzyl-2-(4-methoxyphenyl)-5-oxo-4,5-dihydrooxazole
217446-35-0

4-benzyl-2-(4-methoxyphenyl)-5-oxo-4,5-dihydrooxazole

C20H16N2O3

C20H16N2O3

Conditions
ConditionsYield
With C38H47N4P In toluene at -78℃; for 4h; Michael Addition; enantioselective reaction;87%
propiolonitrile
1070-71-9

propiolonitrile

(Z)-3-Bromopropenenitrile
41866-24-4

(Z)-3-Bromopropenenitrile

Conditions
ConditionsYield
With acetic acid; lithium bromide at 70℃; for 24h;86%
propiolonitrile
1070-71-9

propiolonitrile

pyrographite
7440-44-0

pyrographite

diethylamine
109-89-7

diethylamine

3-(diethylamino)acrylonitrile
2141-54-0

3-(diethylamino)acrylonitrile

Conditions
ConditionsYield
With hydroxylamine hydrochloride; copper(I) chloride; copper In methanol; water85.2%

Cyanoacetylene Specification

The Cyanoacetylene, with the CAS registry number 1070-71-9, is also known as Propynenitrile. It belongs to the product category of Pharmaceutical Intermediates. This chemical's molecular formula is C3HN and molecular weight is 51.05. What's more, its IUPAC name is prop-2-ynenitrile. It is sensitive to air and light. It is used as pharmaceutical intermediates. It is the simplest cyanopolyyne. It has been detected by spectroscopic methods in interstellar clouds and in the atmosphere of Saturn's moon Titan. It is one of the molecules that was produced in the Miller-Urey experiment.

Physical properties of Cyanoacetylene are: (1)ACD/LogP: 0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.66; (4)ACD/BCF (pH 5.5): 1.87; (5)ACD/KOC (pH 5.5): 54.5; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 23.79 Å2; (10)Index of Refraction: 1.41; (11)Molar Refractivity: 13.68 cm3; (12)Molar Volume: 55.2 cm3; (13)Surface Tension: 39.9 dyne/cm; (14)Density: 0.924 g/cm3; (15)Enthalpy of Vaporization: 28.67 kJ/mol; (16)Boiling Point: 42.5 °C at 760 mmHg; (17)Vapour Pressure: 391 mmHg at 25°C.

Preparation: this chemical can be prepared by propynoic acid amide at the temperature of 180 °C. This reaction will need reagent P2O5. The yield is about 70%.

Uses of Cyanoacetylene: it can be used to produce 2-cyanonorbornadiene at the ambient temperature. It will need solvent CH2Cl2 with the reaction time of 12 hours. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C#CC#N
(2)InChI: InChI=1S/C3HN/c1-2-3-4/h1H
(3)InChIKey: LNDJVIYUJOJFSO-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo subcutaneous 48mg/kg (48mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 152, Pg. 1707, 1911.
rabbit LDLo intravenous 15mg/kg (15mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 152, Pg. 1707, 1911.

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