4-Nitro-2-picoline N-oxide
Synonym(s):4-Nitro-2-picoline N-oxide
- CAS NO.：5470-66-6
- Empirical Formula: C6H6N2O3
- Molecular Weight: 154.12
- MDL number: MFCD00014625
- EINECS: 628-037-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-11-07 14:52:41
What is 4-Nitro-2-picoline N-oxide?
Chemical properties
Yellow Solid
The Uses of 4-Nitro-2-picoline N-oxide
A nitroheterocyclic compound and its potential suitability as radiosensitizer for cancer radiotherapy.
Reactivity Profile
4-Nitro-2-picoline N-oxide could be used to synthesize 2-Methyl-4-nitro-6-(pyridin-2-yl)pyridine 1-oxide which is a key
intermediate of Caerulomycin E and A[1].
References
[1] Zhang, Fang , and X. F. Duan . "Facile one-pot direct arylation and alkylation of nitropyridine N-oxides with Grignard reagents. " Organic Letters 43.13(2012).
Properties of 4-Nitro-2-picoline N-oxide
| Melting point: | 155-159 °C(lit.) |
| Boiling point: | 277.46°C (rough estimate) |
| Density | 1.4564 (rough estimate) |
| refractive index | 1.5100 (estimate) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | DMSO, Methanol |
| form | powder |
| pka | -1.18±0.10(Predicted) |
| color | yellow to light orange |
| λmax | 333nm(EtOH)(lit.) |
| BRN | 135501 |
| InChI | InChI=1S/C6H6N2O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3 |
| CAS DataBase Reference | 5470-66-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Nitro-2-picoline-n-oxide(5470-66-6) |
Safety information for 4-Nitro-2-picoline N-oxide
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H351:Carcinogenicity |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
Computed Descriptors for 4-Nitro-2-picoline N-oxide
| InChIKey | FTTIAVRPJGCXAC-UHFFFAOYSA-N |
| SMILES | C1(C)[N+]([O-])=CC=C([N+]([O-])=O)C=1 |
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