| Identification | More | [Name]
4-Nitro-2-picoline N-oxide | [CAS]
5470-66-6 | [Synonyms]
2-METHYL-4-NITROPYRIDINE 1-OXIDE
2-METHYL-4-NITROPYRIDINE N-OXIDE
2-METHYL-4-NITROPYRIDINIUM-1-OLATE
4-NITRO-2-METHYLPYRIDINE-N-OXIDE
4-NITRO-2-PICOLINE N-OXIDE
4-NITROPYRIDINE-2-PICOLINE-N-OXIDE
2-methyl-4-nitro-pyridin1-oxide
2-Picoline, 4-nitro-, 1-oxide
4-Nitro-2-methylpyridine 1-oxide
4-Nitro-a-picoline N-oxide
Pyridine, 2-methyl-4-nitro-, 1-oxide
4-Nitropyridine-2-methyl-N-oxide
4-NITRO-2-PICOLINE N-OXIDE (2-METHYL-4-NITROPYRIDINE-N-OXIDE)
2-Methyl-4-nitro-1-oxidopyridin-1-ium
4-Nitro-2-picoline-N-oxide ,98% | [EINECS(EC#)]
628-037-3 | [Molecular Formula]
C6H6N2O3 | [MDL Number]
MFCD00014625 | [Molecular Weight]
154.12 | [MOL File]
5470-66-6.mol |
| Chemical Properties | Back Directory | [Appearance]
Yellow Solid | [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. ]
2-8°C
| [solubility ]
DMSO, Methanol | [form ]
powder
| [pka]
-1.18±0.10(Predicted) | [color ]
yellow to light orange
| [λmax]
333nm(EtOH)(lit.) | [Detection Methods]
HPLC,NMR | [BRN ]
135501 | [InChI]
InChI=1S/C6H6N2O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3 | [InChIKey]
FTTIAVRPJGCXAC-UHFFFAOYSA-N | [SMILES]
C1(C)[N+]([O-])=CC=C([N+]([O-])=O)C=1 | [CAS DataBase Reference]
5470-66-6(CAS DataBase Reference) | [NIST Chemistry Reference]
4-Nitro-2-picoline-n-oxide(5470-66-6) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS07,GHS08 | [Signal word ]
Warning | [Hazard statements ]
H302+H312+H332-H315-H319-H335-H351 | [Precautionary statements ]
P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338-P308+P313 | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R40:Limited evidence of a carcinogenic effect. | [Safety Statements ]
S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
2811 | [WGK Germany ]
3
| [RTECS ]
UT5710000
| [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29333990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Carc. 2
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow Solid | [Uses]
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].
| [Synthesis]
General procedure for the synthesis of 2-methyl-4-nitropyridine-N-oxide from 2-methylpyridine-N-oxide: to a solution containing 2-methylpyridine-N-oxide (4 g, 36.0 mmol), concentrated sulfuric acid (10 mL) was slowly added in a sealed tube. The reaction mixture was stirred at 70°C for 16 hours. The completion of the reaction was monitored by TLC. Upon completion of the reaction, the mixture was cooled to room temperature, quenched with ice-cold water (100 mL) and extracted with ethyl acetate (3 x 50 mL). The organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The residue was ground with a hexane solution of 10% ethyl acetate (50 mL) to give 2-methyl-4-nitropyridine-N-oxide as a yellow solid. Yield: 4 g (70%); 1H NMR (400 MHz, DMSO-d6): δ 8.41-8.45 (m, 2H), 8.06-8.10 (m, 1H), 2.42 (s, 3H). | [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). |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
|
| Telephone: |
0573-85285100 18627885956 |
| Website: |
https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
| Company Name: |
Tetranov Biopharm
|
| Telephone: |
13526569071 |
| Website: |
http://www.leadmedpharm.com/index.html |
|