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| CAS No.: | 1530-89-8 |
|---|---|
| Name: | 4-Morpholinecarbonitrile |
| Article Data: | 29 |
| Molecular Structure: | |
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| Formula: | C5H8N2O |
| Molecular Weight: | 112.131 |
| Synonyms: | 4-Cyanomorpholine;Morpholine-4-nitrile;Morpholinocarbonitrile;Morpholinocyanamide;N-Cyanomorpholine;N-Morpholinonitrile;NSC 44243; |
| EINECS: | 216-235-9 |
| Density: | 1.12 g/cm3 |
| Boiling Point: | 254.2 °C at 760 mmHg |
| Flash Point: | 104.4 °C |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 36.26000 |
| LogP: | -0.26242 |
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Specification
The 4-Morpholinecarbonitrile is an organic compound with the formula C5H8N2O. The IUPAC name of this chemical is morpholine-4-carbonitrile. With the CAS registry number 1530-89-8, it is also named as N-Cyanomorpholine. The product's categories are Aromatic Morpholines; Building Blocks; Heterocyclic Building Blocks; Morpholines. Besides, it is clear colourless liquid, which should be stored in a closed cool and dry place.
Physical properties about 4-Morpholinecarbonitrile are: (1)ACD/LogP: -0.69; (2)ACD/LogD (pH 5.5): -0.69; (3)ACD/LogD (pH 7.4): -0.69; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 10; (7)ACD/KOC (pH 7.4): 10; (8)#H bond acceptors: 3; (9)Polar Surface Area: 36.26 Å2; (10)Index of Refraction: 1.489; (11)Molar Refractivity: 28.71 cm3; (12)Molar Volume: 99.3 cm3; (13)Polarizability: 11.38×10-24cm3; (14)Surface Tension: 44.4 dyne/cm; (15)Density: 1.12 g/cm3; (16)Flash Point: 104.4 °C; (17)Enthalpy of Vaporization: 49.16 kJ/mol; (18)Boiling Point: 254.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0175 mmHg at 25°C.
Preparation: this chemical can be prepared by morpholine and cyanogen bromide. This reaction is a kind of Condensation. This reaction will need reagent KOH and solvent diethyl ether. The reaction temperature is 10 °C. The yield is about 60%.
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Uses of 4-Morpholinecarbonitrile: it can be used to produce morpholine-4-carbothioic acid amide. It will need reagents NH3, H2S.
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When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CN1CCOCC1
(2)InChI: InChI=1/C5H8N2O/c6-5-7-1-3-8-4-2-7/h1-4H2
(3)InChIKey: BOQOXLAQTDFJKU-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C5H8N2O/c6-5-7-1-3-8-4-2-7/h1-4H2
(5)Std. InChIKey: BOQOXLAQTDFJKU-UHFFFAOYSA-N