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| CAS No.: | 1466-88-2 |
|---|---|
| Name: | 2-NITROCINNAMALDEHYDE |
| Molecular Structure: | |
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| Formula: | C9H7NO3 |
| Molecular Weight: | 177.159 |
| Synonyms: | Cinnamaldehyde,o-nitro- (6CI,7CI,8CI);2-Nitrocinnamaldehyde;2-Nitrocinnamic aldehyde;3-(2-Nitrophenyl)-2-propenal;3-(2-Nitrophenyl)propenal;NSC 28458;o-Nitrocinnamaldehyde; |
| EINECS: | 215-988-0 |
| Density: | 1.269g/cm3 |
| Melting Point: | 127-129 °C(lit.) |
| Boiling Point: | 348.1 °C at 760 mmHg |
| Flash Point: | 178.1 °C |
| Solubility: | Soluble in methanol. Insoluble in water. |
| Appearance: | light yellow to yellow-brown crystals or powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/38 |
| Safety: | 26-36 |
| PSA: | 62.89000 |
| LogP: | 2.33010 |
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Specification
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%.
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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