4-HYDROXY-3-METHOXYPHENYLACETONITRILE

The Benzeneacetonitrile,4-hydroxy-3-methoxy-, with the CAS registry number 4468-59-1, is also known as 4-Hydroxy-3-methoxyphenylacetonitrile, 98%. It belongs to the product category of Aromatic Nitriles. Its EINECS registry number is 224-739-5. This chemical's molecular formula is C₉H₉NO₂ and molecular weight is 163.17. Its systematic name is called (4-hydroxy-3-methoxyphenyl)acetonitrile.

Physical properties of Benzeneacetonitrile,4-hydroxy-3-methoxy-: (1)ACD/LogP: 0.42; (2)ACD/LogD (pH 5.5): 0.42; (3)ACD/LogD (pH 7.4): 0.42; (4)ACD/BCF (pH 5.5): 1.22; (5)ACD/BCF (pH 7.4): 1.22; (6)ACD/KOC (pH 5.5): 40.18; (7)ACD/KOC (pH 7.4): 39.98; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.554; (12)Molar Refractivity: 44.27 cm³; (13)Molar Volume: 138 cm³; (14)Surface Tension: 48.2 dyne/cm; (15)Density: 1.181 g/cm³; (16)Flash Point: 153.1 °C; (17)Enthalpy of Vaporization: 57.67 kJ/mol; (18)Boiling Point: 313.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000269 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-hydroxy-3-methoxy-benzyl alcohol. The yield is about 21%.

Uses of Benzeneacetonitrile,4-hydroxy-3-methoxy-: it can be used to produce 4-(2-amino-ethyl)-2-methoxy-phenol. This reaction will need reagent H₂, aq. HCl and solvent ethanol.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1cc(OC)c(O)cc1
(2)InChI: InChI=1/C9H9NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4H2,1H3
(3)InChIKey: SDVYWMWQCJEYTC-UHFFFAOYAH