2-NITROCINNAMALDEHYDE

The 2-Propenal,3-(2-nitrophenyl)-, with CAS registry number 1466-88-2, belongs to the following product category: Aromatic Aldehydes & Derivatives (substituted). It has the systematic name of (2E)-3-(2-nitrophenyl)prop-2-enal. This chemical is a kind of light yellow to yellow-brown crystals or powder. And it should be stored in the refrigerator. And the chemical formula of this chemical is C₉H₇NO₃.

Physical properties of 2-Propenal,3-(2-nitrophenyl)-: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 62.89 Å²; (7)Index of Refraction: 1.617; (8)Molar Refractivity: 48.87 cm³; (9)Molar Volume: 139.5 cm³; (10)Polarizability: 19.37×10^-24cm³; (11)Surface Tension: 51.8 dyne/cm; (12)Density: 1.269 g/cm³; (13)Flash Point: 178.1 °C; (14)Enthalpy of Vaporization: 59.24 kJ/mol; (15)Boiling Point: 348.1 °C at 760 mmHg; (16)Vapour Pressure: 5.15E-05 mmHg at 25°C.

Uses of 2-Propenal,3-(2-nitrophenyl)-: it can be used to produce quinoline. This reaction will need reagents cysteine, ferrous ammonium sulfate, carbonate buffer and solvents ethanol, H₂O. The reaction time is 15 hour(s) with reaction temperature of 50 ℃. The yield is about 76%.

When you are using this chemical, please be cautious about it as the following:
The 2-Propenal,3-(2-nitrophenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccccc1\C=C\C=O
(2)InChI: InChI=1/C9H7NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-7H/b5-3+
(3)InChIKey: VMSMELHEXDVEDE-HWKANZROBN
(4)Std. InChI: InChI=1S/C9H7NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-7H/b5-3+
(5)Std. InChIKey: VMSMELHEXDVEDE-HWKANZROSA-N