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3-Phenylacrylaldehyde oxime

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Name

3-Phenylacrylaldehyde oxime

EINECS 236-449-6
CAS No. 13372-81-1 Density 0.97g/cm3
PSA 32.59000 LogP 2.15980
Solubility insoluble in water Melting Point 115-125 °C
Formula C9H9NO Boiling Point 280.3oC at 760mmHg
Molecular Weight 147.177 Flash Point 165.1oC
Transport Information N/A Appearance light brown powder
Safety 22-24/25-36/37/39-26 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 13372-81-1 (CINNAMALDEHYDE OXIME) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

NSC 77420;Cinnamaldehyde,oxime (6CI,7CI,8CI);3-Phenyl-2-propenal oxime;3-Phenylacrylicaldoxime;Cinnamaldoxime;

Article Data 62

3-Phenylacrylaldehyde oxime Specification

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

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