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| CAS No.: | 78375-48-1 |
|---|---|
| Name: | 2-Morpholinoethyl isocyanide |
| Article Data: | 5 |
| Molecular Structure: | |
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|
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| Formula: | C7H12N2O |
| Molecular Weight: | 140.185 |
| Synonyms: | 2-Morpholinoethylisocyanide;4-(2-Isocyanoethyl)morpholine;Morpholinoethyl isocyanide;N-(2-Isocyanoethyl)morpholine; |
| Density: | 1.017 g/mL at 20 °C(lit.) |
| Boiling Point: | 72-73 °C at 0.7 mm Hg(lit.) |
| Flash Point: | 110 °C |
| Hazard Symbols: |
 T
|
| Risk Codes: | 23/24/25-36/37/38 |
| Safety: | 26-36/37-45 |
| Transport Information: | UN 2810 6.1/PG 3 |
| PSA: | 12.47000 |
| LogP: | -0.59350 |
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Specification
The CAS register number of 2-Morpholinoethyl isocyanide is 78375-48-1. It also can be called as Morpholine,4-(2-isocyanoethyl)- and the systematic name about this chemical is 4-(2-isocyanoethyl)morpholine. The molecular formula about this chemical is C7H12N2O and molecular weight is 140.18. It belongs to the Nitro / Nitriles.
Physical properties about 2-Morpholinoethyl isocyanide are: (1)#H bond acceptors: 3; (2)#Freely Rotating Bonds: 2; (3)Polar Surface Area: 16.83Å2.
Preparation: this chemical can be prepared by N-(2-morpholino-ethyl)-formamide. This reaction will need reagent phosphoryl chloride, diisopropylamine and solvent CH2Cl2. The yield is about 68%.
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Uses of 2-Morpholinoethyl isocyanide: it can be used to produce C7H13N2O(1+)*Cl(1-) at temperature of 20 °C. This reaction will need reagent HCl. The yield is about 62%.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation or in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: [C-]#[N+]CCN1CCOCC1
(2)InChI: InChI=1/C7H12N2O/c1-8-2-3-9-4-6-10-7-5-9/h2-7H2
(3)InChIKey: MFRZPLYKVDHOSN-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H12N2O/c1-8-2-3-9-4-6-10-7-5-9/h2-7H2
(5)Std. InChIKey: MFRZPLYKVDHOSN-UHFFFAOYSA-N