The IUPAC name of 4-Methoxybenzoylacetonitrile is 3-(4-methoxyphenyl)-3-oxopropanenitrile. With the CAS registry number 3672-47-7, it is also named as Benzenepropanenitrile,4-methoxy-β-oxo-. Besides, it is yellow crystalline powder, which should be stored in sealed, dark, ventilated and dry place. In addition, its molecular formula is C₁₀H₉NO₂ and molecular weight is 175.18.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 50.09 Å²; (7)Index of Refraction: 1.525; (8)Molar Refractivity: 47.5 cm³; (9)Molar Volume: 154.8 cm³; (10)Polarizability: 18.83×10^-24cm³; (11)Surface Tension: 43.2 dyne/cm; (12)Density: 1.131 g/cm³; (13)Flash Point: 159.3 °C; (14)Melting Point: 129-132 °C; (15)Enthalpy of Vaporization: 61.06 kJ/mol; (16)Boiling Point: 364.4 °C at 760 mmHg; (17)Vapour Pressure: 1.69E-05 mmHg at 25 °C.

Preparation of 4-Methoxybenzoylacetonitrile: this chemical can be prepared by the reaction of Methoxybenzene with Malononitrile.



This reaction needs CF₃SO₃H at ambient temperature. The reaction time is 11 days. The yield is 40 %.

Uses of 4-Methoxybenzoylacetonitrile: it can react with 4-Methoxy-benzaldehyde to get 2-(4-Methoxybenzylidene)-3-(4-methoxyphenyl)-3-oxopropanenitrile.



This reaction needs Piperidine and Ethanol at ambient temperature. The yield is 97 %.

When you are using this chemical, please be cautious about it as the following: it is harmful and toxic by inhalation, in contact with skin and if swallowed. It is also irritating to eyes, respiratory system and skin. When using, please do not eat or drink. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing and gloves. Furthermore, this material and its container must be disposed of as hazardous waste. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: N#CCC(=O)c1ccc(OC)cc1
(2)InChI: InChI=1/C10H9NO2/c1-13-9-4-2-8(3-5-9)10(12)6-7-11/h2-5H,6H2,1H3
(3)InChIKey: IKEPUFCALLUUBC-UHFFFAOYAE