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4426-11-3

Basic Information
CAS No.: 4426-11-3
Name: Cyanocyclobutane
Article Data: 20
Molecular Structure:
Molecular Structure of 4426-11-3 (Cyanocyclobutane)
Formula: C5H7 N
Molecular Weight: 81.1173
Synonyms: Cyanocyclobutane;Cyclobutanenitrile
EINECS: 224-606-1
Density: 0.93 g/cm3
Boiling Point: 156.1 °C at 760 mmHg
Flash Point: 44.3 °C
Solubility: Slightly soluble in water.
Appearance: Colorless liquid
Hazard Symbols: R10:Flammable.; R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Risk Codes: 11-20/21/22
Safety: 3/7-9-16-36/37/39
Transport Information: 3275
PSA: 23.79000
LogP: 1.31008
Synthetic route
6280-87-1

δ-chlorovaleronitrile

A

4426-11-3

cyclobutanecarbonitrile

B

1-chloro-4,8-dicyanooctane

Conditions
ConditionsYield
With sodium hydroxide; tetrabutyl-ammonium chloride In tetrahydrofuran at 67℃; for 6h; Rate constant;A 90%
B 10 % Chromat.
With sodium hydroxide; tetrabutyl-ammonium chloride In tetrahydrofuran at 67℃; for 6h;A 90%
B 10 % Chromat.
5414-21-1

5-bromopentan-1-nitrile

4426-11-3

cyclobutanecarbonitrile

Conditions
ConditionsYield
With oxygen; tetraethylammonium perchlorate In N,N-dimethyl-formamide at 20℃; electroreduction at -1.1 V;72%
With sodium hydroxide; tetrabutyl-ammonium chloride In tetrahydrofuran at 67℃; for 3h; Rate constant;
With N,N-Dimethylamino acetonitrile
With sodium hydroxide; tetrabutyl-ammonium chloride In tetrahydrofuran at 67℃; for 3h; Yield given;
61540-42-9

Dimethyl-dithiocarbamic acid 1-cyano-cyclobutyl ester

4426-11-3

cyclobutanecarbonitrile

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene at 80℃; for 5h;71%
1189-71-5

isocyanate de chlorosulfonyle

3721-95-7

Cyclobutanecarboxylic acid

4426-11-3

cyclobutanecarbonitrile

Conditions
ConditionsYield
In dichloromethane; N,N-dimethyl-formamide66.5%
6280-87-1

δ-chlorovaleronitrile

4426-11-3

cyclobutanecarbonitrile

Conditions
ConditionsYield
With sodium amide
With lithium diethylamide In N,N,N,N,N,N-hexamethylphosphoric triamide at -70℃;
1503-98-6

cyclobutyl amide

4426-11-3

cyclobutanecarbonitrile

Conditions
ConditionsYield
With phosphorus pentoxide durch Destillation;
With phosphorus pentoxide
With phosphorus pentoxide at 255℃; for 1h; Temperature;
30491-91-9

1-cyanocyclobutane-1-carboxylic acid

4426-11-3

cyclobutanecarbonitrile

16955-35-4

1-cyanobicyclo<1.1.0>butane

A

4426-11-3

cyclobutanecarbonitrile

Conditions
ConditionsYield
Yield given. Multistep reaction;

1-Benzenesulfonyl-cyclobutanecarbonitrile

4426-11-3

cyclobutanecarbonitrile

Conditions
ConditionsYield
With magnesium; mercury dichloride In tetrahydrofuran; methanol for 2h; 0 deg C to r.t.;
143-33-9

sodium cyanide

110-56-5

1,4-dichlorobutane

A

111-69-3

hexanedinitrile

B

6280-87-1

δ-chlorovaleronitrile

C

4426-11-3

cyclobutanecarbonitrile

Conditions
ConditionsYield
With sodium hydroxide; tetrabutylammomium bromide In tetrahydrofuran for 3h; Heating; Yield given. Yields of byproduct given;
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    Molecular Formula C5H7N Molecular Weight 81.11 CAS Registry Number 4426-11-3 EINECS 224-606-1 Cyanocyclobutane SynonymsCyc…

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Chemistry

Molecular Structure of Cyanocyclobutane (CAS NO.4426-11-3):

IUPAC Name: Cyclobutanecarbonitrile
Canonical SMILES: C1CC(C1)C#N
InChI: InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2 
InChIKey: GFBLFDSCAKHHGX-UHFFFAOYSA-N
Molecular Weight: 81.11578 [g/mol]  
Molecular Formula: C5H7N  
XLogP3-AA: 1  
H-Bond Donor: 0  
H-Bond Acceptor: 1
EINECS: 224-606-1
Index of Refraction: 1.446 
Molar Refractivity: 23.06 cm
Molar Volume: 86.4 cm3
Surface Tension: 33.4 dyne/cm 
Density: 0.93 g/cm3 
Flash Point: 44.3 °C 
Enthalpy of Vaporization: 36.88 kJ/mol 
Boiling Point: 156.1 °C at 760 mmHg 
Vapour Pressure: 2.93 mmHg at 25 °C 

Safety Profile

Safety Information of Cyanocyclobutane (CAS NO.4426-11-3):
Risk Statements: 11-20/21/22 
R11:Highly flammable. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 3/7-9-16-36/37/39 
S3:Keep in a cool place. 
S7:Keep container tightly closed. 
S9:Keep container in a well-ventilated place. 
S16:Keep away from sources of ignition. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 3275
HazardClass: 6.1
PackingGroup: II

Specification

 Cyanocyclobutane (CAS NO.4426-11-3), its Synonyms are Cyclobutanecarbonitrile ; Cyclobutyl cyanide .