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| CAS No.: | 4476-02-2 |
|---|---|
| Name: | PROPIONALDEHYDE CYANOHYDRIN |
| Molecular Structure: | |
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|
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| Formula: | C4H7NO |
| Molecular Weight: | 85.1057 |
| Synonyms: | Butyronitrile,2-hydroxy- (6CI,7CI,8CI);2-Hydroxybutanenitrile;2-Hydroxybutyronitrile;Propanal, cyanohydrin;Propionaldehyde cyanohydrin; |
| EINECS: | 224-753-1 |
| Density: | 0.991 g/cm3 |
| Boiling Point: | 193.2 °C at 760 mmHg |
| Flash Point: | 70.6 °C |
| Hazard Symbols: |
 T
|
| Risk Codes: | 23/24/25 |
| Safety: | 36/37/39-45 |
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Specification
The Butanenitrile,2-hydroxy- is an organic compound with the formula C4H7NO. The IUPAC name of this chemical is 2-hydroxybutanenitrile. With the CAS registry number 4476-02-2, it is also named as Propionaldehyde cyanohydrin.
Physical properties about Butanenitrile,2-hydroxy- are: (1)ACD/LogP: -0.36; (2)ACD/LogD (pH 5.5): -0.36; (3)ACD/LogD (pH 7.4): -0.36; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15.1; (7)ACD/KOC (pH 7.4): 15.1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 33.02 Å2; (12)Index of Refraction: 1.425; (13)Molar Refractivity: 21.98 cm3; (14)Molar Volume: 85.8 cm3; (15)Polarizability: 8.71×10-24cm3; (16)Surface Tension: 38.4 dyne/cm; (17)Density: 0.991 g/cm3; (18)Flash Point: 70.6 °C; (19)Enthalpy of Vaporization: 49.97 kJ/mol; (20)Boiling Point: 193.2 °C at 760 mmHg; (21)Vapour Pressure: 0.125 mmHg at 25°C.
Preparation: this chemical can be prepared by propionaldehyde and trimethyl-silanecarbonitrile. This reaction will need reagent homochiral lanthanide bisphosphonate and solvent CH2Cl2. The yield is about 61%.
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Uses of Butanenitrile,2-hydroxy-: it can be used to produce 2-(1-Ethoxyethoxy)butyronitrile at temperature of 100 °C. The reaction time is 1.5 hours. The yield is about 75.1%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: N#CC(O)CC
(2)InChI: InChI=1/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3
(3)InChIKey: NHSSTOSZJANVEV-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3
(5)Std. InChIKey: NHSSTOSZJANVEV-UHFFFAOYSA-N