CINNAMALDEHYDE OXIME

The IUPAC name of 3-Phenylacrylaldehyde oxime is (NE)-N-[(E)-3-phenylprop-2-enylidene]hydroxylamine. With the CAS registry number 13372-81-1, it is also named as Cinnamaldehyde oxime. Besides, it is light brown powder, which should be sealed in cool, dry and ventilated place at room temperature. This chemical is insoluble in water. In addition, its molecular formula is C₉H₉NO and molecular weight is 147.17.

The other characteristics of this product can be summarized as: (1)EINECS: 236-449-6; (2)ACD/LogP: 2.78; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.77; (5)ACD/LogD (pH 7.4): 2.77; (6)H bond acceptors: 2; (7)H bond donors: 1; (8)Freely Rotating Bonds: 3; (9)Polar Surface Area: 32.59 Å²; (10)Index of Refraction: 1.513; (11)Molar Refractivity: 45.37 cm³; (12)Molar Volume: 150.7 cm³; (13)Polarizability: 17.98×10^-24cm³; (14)Surface Tension: 37.2 dyne/cm; (15)Density: 0.97 g/cm³; (16)Flash Point: 165.1 °C; (17)Melting point: 115-125 °C; (18)Enthalpy of Vaporization: 54.82 kJ/mol; (19)Boiling Point: 280.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00181 mmHg at 25 °C.

Preparation of 3-Phenylacrylaldehyde oxime: this chemical can be prepared by 3-Phenyl-propenal.



This reaction needs Hydroxylamine, NaOH and H₂O at ambient temperature. The reaction time is 10 min. The yield is 66 %.

Uses of 3-Phenylacrylaldehyde oxime: it can be used for producting 3-Phenyl-acrylonitrile.



This reaction needs Diethyl chlorophosphite and CHCl₃ at temperature of -40 °C for 30 min. The yield is 90 %.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. Please do not breathe dust. It is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection to avoid contact with skin and eyes when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1ccc(cc1)C=CC=NO
(2)InChI:InChI=1/C9H9NO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-8,11H/b7-4-,10-8+
(3)InChIKey:RUQDOYIAKHIMAN-WIXOJMCHBJ
(4)Std. InChI:InChI=1S/C9H9NO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-8,11H/b7-4-,10-8+
(5)Std. InChIKey:RUQDOYIAKHIMAN-WIXOJMCHSA-N