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Cas Database |
| Name |
Cyanocyclobutane |
EINECS | 224-606-1 |
| CAS No. | 4426-11-3 | Density | 0.93 g/cm3 |
| PSA | 23.79000 | LogP | 1.31008 |
| Solubility | Slightly soluble in water. | Melting Point |
N/A |
| Formula | C5H7 N | Boiling Point | 156.1 °C at 760 mmHg |
| Molecular Weight | 81.1173 | Flash Point | 44.3 °C |
| Transport Information | 3275 | Appearance | Colorless liquid |
| Safety | 3/7-9-16-36/37/39 | Risk Codes | 11-20/21/22 |
| Molecular Structure |
|
Hazard Symbols | R10:Flammable.; R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; |
| Synonyms |
Cyanocyclobutane;Cyclobutanenitrile |
Article Data | 20 |
Cyanocyclobutane Synthetic route
| Conditions | Yield |
|---|---|
| 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. |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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 | Yield |
|---|---|
| In dichloromethane; N,N-dimethyl-formamide | 66.5% |
| Conditions | Yield |
|---|---|
| With sodium amide | |
| With lithium diethylamide In N,N,N,N,N,N-hexamethylphosphoric triamide at -70℃; |
| Conditions | Yield |
|---|---|
| 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
- 6142-59-2, 26343-62-4, 26343-63-5, 62279-41-8, 62279-42-9
trans-1-cyano-2-methylcyclopropane
| Conditions | Yield |
|---|---|
| Yield given. Multistep reaction; |
- 4426-11-3
cyclobutanecarbonitrile
| Conditions | Yield |
|---|---|
| With magnesium; mercury dichloride In tetrahydrofuran; methanol for 2h; 0 deg C to r.t.; |
Cyanocyclobutane Chemical Properties
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 cm3
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
Cyanocyclobutane 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
Cyanocyclobutane Specification
Cyanocyclobutane (CAS NO.4426-11-3), its Synonyms are Cyclobutanecarbonitrile ; Cyclobutyl cyanide .
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