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Cas Database |
| Name |
1-Cyclohexene-1-acetonitrile |
EINECS | 230-235-6 |
| CAS No. | 6975-71-9 | Density | 0.941 g/cm3 |
| PSA | 23.79000 | LogP | 2.40048 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H11N | Boiling Point | 215.6 °C at 760 mmHg |
| Molecular Weight | 121.182 | Flash Point | 83.9 °C |
| Transport Information | N/A | Appearance | Clear yellow to orange liquid |
| Safety | 26-27-36/37/39-36/37 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi
|
| Synonyms |
1-Cyclohexen-1-ylacetonitrile;1-Cyclohexene-1-acetonitrile;2-(1-Cyclohexenyl)acetonitrile;NSC 21642; |
Article Data | 26 |
1-Cyclohexene-1-acetonitrile Synthetic route
| Conditions | Yield |
|---|---|
| With nickel(II) sulphate; sodium hydroxide; dipotassium peroxodisulfate In dichloromethane for 24h; Ambient temperature; | 95% |
| With oxygen; RuHAP In toluene at 110℃; for 24h; | 99 % Chromat. |
| With ammonium hydroxide; oxygen In tert-Amyl alcohol at 110℃; under 2250.23 Torr; for 15h; Autoclave; Green chemistry; | 90 %Chromat. |
- 29625-35-2
(+/-)-2-(7-oxabicyclo[4.1.0]heptyl)ethanenitrile
- 6975-71-9
1-cyclohexenylacetonitrile
| Conditions | Yield |
|---|---|
| With sodium iodide; tin(ll) chloride In ethanol for 0.05h; Reflux; Green chemistry; | 85% |
- 4435-18-1, 76293-17-9
2-cyclohexylideneacetonitrile
- 141-52-6
sodium ethanolate
- 6975-71-9
1-cyclohexenylacetonitrile
| Conditions | Yield |
|---|---|
| at 25℃; Kinetics; |
| Conditions | Yield |
|---|---|
| With pyrex-glass at 510℃; |
- 37107-50-9
2-cyano-2-cyclohexylideneacetic acid
- 6975-71-9
1-cyclohexenylacetonitrile
| Conditions | Yield |
|---|---|
| under 50 Torr; bei der Destillation; | |
| With pyridine; copper | |
| With pyridine; nitric acid | |
| at 165 - 175℃; |
- 112005-21-7
cyano-cyclohex-1-enyl-acetic acid
- 6975-71-9
1-cyclohexenylacetonitrile
| Conditions | Yield |
|---|---|
| under 90 Torr; durch Destillation; |
| Conditions | Yield |
|---|---|
| With piperidine at 105℃; | |
| With ammonium acetate; benzene Erhitzen des Reaktionsprodukts unter 35-45 Torr auf 165-175grad; | |
| With ammonium acetate; benzene Erhitzen des Reaktionsprodukts unter 50-70 Torr auf 130-140grad; |
- 4435-18-1, 76293-17-9
2-cyclohexylideneacetonitrile
- 6975-71-9
1-cyclohexenylacetonitrile
| Conditions | Yield |
|---|---|
| In N,N,N,N,N,N-hexamethylphosphoric triamide at 165℃; for 14h; |
| Conditions | Yield |
|---|---|
| (i) CH2N2, (ii) aq. HCl, AcOH; Multistep reaction; |
- 90242-33-4
2-(2-hydroxycyclohexyl)acetonitrile
- 6975-71-9
1-cyclohexenylacetonitrile
| Conditions | Yield |
|---|---|
| With acetic anhydride for 6h; Heating; Yield given; |
1-Cyclohexene-1-acetonitrile Chemical Properties
IUPAC Name: 2-Cyclohexen-1-ylacetonitrile
Following is the structure of 1-Cyclohexene-1-acetonitrile (CAS NO.6975-71-9):
Empirical Formula: C8H11N
Molecular Weight: 121.1796 g/mol
EINECS: 230-235-6
Index of Refraction: 1.479
Molar Refractivity: 36.51 cm3
Molar Volume: 128.6 cm3
Density: 0.941 g/cm3
Flash Point: 83.9 °C
Surface Tension: 35.4 dyne/cm
Enthalpy of Vaporization: 45.19 kJ/mol
Boiling Point: 215.6 °C at 760 mmHg
Vapour Pressure of 1-Cyclohexene-1-acetonitrile (CAS NO.6975-71-9): 0.147 mmHg at 25 °C
Appearance of 1-Cyclohexene-1-acetonitrile (CAS NO.6975-71-9): Clear yellow to orange liquid
Canonical SMILES: C1CCC(=CC1)CC#N
InChI: InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-6H2
InChIKey: OYEXEQFKIPJKJK-UHFFFAOYSA-N
1-Cyclohexene-1-acetonitrile Toxicity Data With Reference
1-Cyclohexene-1-acetonitrile (CAS NO.6975-71-9) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
1-Cyclohexene-1-acetonitrile Safety Profile
Hazard Codes: 
Xn,
Xi
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-27-36/37/39-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S36/37:Wear suitable protective clothing and gloves.
RIDADR: 3276
WGK Germany: 3
Hazard Note: Irritant
TSCA: T
1-Cyclohexene-1-acetonitrile Specification
1-Cyclohexene-1-acetonitrile , its cas register number is 6975-71-9. It also can be called Cyclohex-1-ene-1-acetonitrile ; Cyclohexenylacetonitrile ; and 1-Cyclohexenylacetonitrile .
1-Cyclohexene-1-acetonitrile (CAS NO.6975-71-9) should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents, strong reducing agents, strong acids, strong bases. And also prevent it to broken down into hazardous decomposition products: nitrogen oxides, carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported.
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