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CAS No.: | 4426-11-3 |
---|---|
Name: | Cyanocyclobutane |
Article Data: | 20 |
Molecular Structure: | |
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 |
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; |
Dimethyl-dithiocarbamic acid 1-cyano-cyclobutyl ester
cyclobutanecarbonitrile
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene at 80℃; for 5h; | 71% |
isocyanate de chlorosulfonyle
Cyclobutanecarboxylic acid
cyclobutanecarbonitrile
Conditions | Yield |
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In dichloromethane; N,N-dimethyl-formamide | 66.5% |
Conditions | Yield |
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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; |
1-cyanocyclobutane-1-carboxylic acid
cyclobutanecarbonitrile
1-cyanobicyclo<1.1.0>butane
A
cyclobutanecarbonitrile
trans-1-cyano-2-methylcyclopropane
Conditions | Yield |
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Yield given. Multistep reaction; |
cyclobutanecarbonitrile
Conditions | Yield |
---|---|
With magnesium; mercury dichloride In tetrahydrofuran; methanol for 2h; 0 deg C to r.t.; |
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
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 (CAS NO.4426-11-3), its Synonyms are Cyclobutanecarbonitrile ; Cyclobutyl cyanide .