1-Phenyl-2-nitropropene
- CAS NO.：705-60-2
- Empirical Formula: C9H9NO2
- Molecular Weight: 163.17
- MDL number: MFCD00014720
- EINECS: 627-363-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:08:52
What is 1-Phenyl-2-nitropropene?
Chemical properties
Yellow crystalline powder
The Uses of 1-Phenyl-2-nitropropene
1-phenyl-2-nitropropene is used in the production of pharmaceuticals, for instance, for drug Adderall, a drug used to treat ADHD and narcolepsy.
What are the applications of Application
(2-Nitropropenyl)benzene is a derivative of styrene (S687790), which exhibits herbicidal and antibacterial properties.
Synthesis Reference(s)
The Journal of Organic Chemistry, 15, p. 8, 1950 DOI: 10.1021/jo01147a002
Tetrahedron Letters, 26, p. 1193, 1985 DOI: 10.1016/S0040-4039(00)98431-4
General Description
trans-β-Methyl-β-nitrostyrene (1-phenyl-2-nitropropene), a nitrostyrene derivative is an α,β-disubstituted nitroalkene. It has been synthesized by reacting benzaldehyde with nitroethane and butylamine. Spectroscopic analysis of 1-phenyl-2-nitropropene has been done using FT-IR, FT-Raman, NMR and UV.
Properties of 1-Phenyl-2-nitropropene
| 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 |
| 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 for 1-Phenyl-2-nitropropene
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
Computed Descriptors for 1-Phenyl-2-nitropropene
| InChIKey | WGSVFWFSJDAYBM-BQYQJAHWSA-N |
| SMILES | C1(C=C([N+]([O-])=O)C)=CC=CC=C1 |
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