PROPIONALDEHYDE CYANOHYDRIN

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%.

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%.

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