2-Nitro-1-phenylpropene
Extended π-Conjugation System: The molecular architecture integrates nitro groups (-NO₂) with allylic functionalities, establishing a conjugated π-electron network that manifests dual chemical characteristics of alkenes and nitro compounds.
Organic Solvent Compatibility: Demonstrates ready solubility in acetone, chloroform, dichloromethane, and methanol, providing operational versatility across diverse application scenarios.
Stable Solid Form: Presents as crystalline powder with confirmed stability under refrigerated conditions (2-8°C), ensuring prolonged shelf life.
Elevated Boiling Point: With a boiling point of 263°C, maintains structural integrity in high-temperature industrial processes and chemical syntheses.
The molecular structure features a benzene ring connected to an allyl moiety, where the β-carbon of the allyl chain is bonded to a nitro functional group (-NO₂), establishing a delocalized π-electron network. This configuration confers dual chemical properties characteristic of both alkenes and nitro compounds. The substance typically presents as a yellow to orange-colored oily liquid or crystalline solid with a pungent odor. While exhibiting limited aqueous solubility, it demonstrates ready dissolution in organic solvents including ethanol, diethyl ether, and acetone.
Parameters
Melting point | 63-65 °C (lit.) |
Boiling point | 263.0±9.0 °C(Predicted) |
density | 1.141±0.06 g/cm3(Predicted) |
storage temp. | 2-8°C |
solubility | Acetone, Chloroform, Dichloromethane, Methanol |
form | Crystalline Powder |
color | Yellow |
InChI | InChI=1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3 |
InChIKey | WGSVFWFSJDAYBM-BQYQJAHWSA-N |
SMILES | C1(C=C([N+]([O-])=O)C)=CC=CC=C1 |
NIST Chemistry Reference | Benzene, (2-nitro-1-propenyl)-(705-60-2) |
EPA Substance Registry System | (2-Nitro-1-propenyl)benzene (705-60-2) |
Safety Information
Hazard Codes | Xi |
Risk Statements | 36/37/38 |
Safety Statements | 26-36-37/39 |
WGK Germany | 3 |
RTECS | DA6495000 |
HS Code | 29042090 |
