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| CAS No.: | 1855-63-6 |
|---|---|
| Name: | CYCLOHEXENE-1-CARBONITRILE |
| Molecular Structure: | |
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| Formula: | C7H9N |
| Molecular Weight: | 107.155 |
| Synonyms: | 1-Cyano-1-cyclohexene;1-Cyanocyclohexene;1-Cyclohexenecarbonitrile;1-Cyclohexenyl cyanide;NSC177484; |
| EINECS: | 217-454-2 |
| Density: | 0.95 g/cm3 |
| Boiling Point: | 192.7 °C at 760 mmHg |
| Flash Point: | 69.9 °C |
| Solubility: | Not miscible in water. |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 26-36/37/39 |
| PSA: | 23.79000 |
| LogP: | 2.01038 |
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Specification
The 1-Cyclohexene-1-carbonitrile is an organic compound with the formula C7H9N. The systematic name of this chemical is Cyclohex-1-ene-1-carbonitrile. With the CAS registry number 1855-63-6, it is also named as 1-Cyclohexenecarbonitrile. Besides, it should be stored in a cool, sealed, dry, well-ventilated, lightproof place.
Physical properties about 1-Cyclohexene-1-carbonitrile are: (1)ACD/LogP: 1.83; (2)ACD/LogD (pH 5.5): 1.83; (3)ACD/LogD (pH 7.4): 1.83; (4)ACD/BCF (pH 5.5): 14.59; (5)ACD/BCF (pH 7.4): 14.59; (6)ACD/KOC (pH 5.5): 237.1; (7)ACD/KOC (pH 7.4): 237.1; (8)#H bond acceptors: 1; (9)Polar Surface Area: 23.79 Å2; (10)Index of Refraction: 1.481; (11)Molar Refractivity: 32.03 cm3; (12)Molar Volume: 112.5 cm3; (13)Polarizability: 12.69×10-24 cm3; (14)Surface Tension: 35.1 dyne/cm; (15) Density: 0.95 g/cm3; (16)Flash Point: 69.9 °C; (17)Enthalpy of Vaporization: 42.89 kJ/mol; (18)Boiling Point: 192.7 °C at 760 mmHg; (19)Vapour Pressure: 0.481 mmHg at 25 °C.
Preparation: this chemical can be prepared by 1-Hydroxy-cyclohexanecarbonitrile. This reaction will need reagents POCl3; pyridine. The yield is about 79%.
Uses of 1-Cyclohexene-1-carbonitrile: it can be used to produce Cyclohex-1-enecarboxylic acid. It will need reagent aq. phosphoric acid. The yield is about 80%.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H9N/c8-6-7-4-2-1-3-5-7/h4H,1-3,5H2
(2)InChIKey: GTMWGXABXQTZRJ-UHFFFAOYAZ
(3)Std. InChI: InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h4H,1-3,5H2
(4)Std. InChIKey: GTMWGXABXQTZRJ-UHFFFAOYSA-N