ChemicalBook > CAS DataBase List > 3-Methyl-4-nitropyridine N-Oxide

3-Methyl-4-nitropyridine N-Oxide

Product Name
3-Methyl-4-nitropyridine N-Oxide
CAS No.
1074-98-2
Chemical Name
3-Methyl-4-nitropyridine N-Oxide
Synonyms
3-Methyl-4-nitropyri;3-Methyl-4-nitro-1$l^{5;-4-nitropyridine N-Oxide;4-NITRO-3-PICOLINE N-OXIDE;4-Nitro-B-picoline N-oxide;4-Nitro-3-picoline 1-oxide;3-Picoline, 4-nitro-, 1-oxide;4-Nitro-beta-picoline N-oxide;4-Nitro-3-picoline-N-oxide 99%;3-Methyl-4-nitropyridin-1-oxid
CBNumber
CB9205071
Molecular Formula
C6H6N2O3
Formula Weight
154.12
MOL File
1074-98-2.mol
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3-Methyl-4-nitropyridine N-Oxide Property

Melting point:
135-139 °C
Boiling point:
277.46°C (rough estimate)
Density 
1.4564 (rough estimate)
refractive index 
1.5100 (estimate)
storage temp. 
2-8°C
pka
-1.22±0.10(Predicted)
form 
Crystalline Needles or Powder
color 
Yellow
BRN 
140157
InChI
InChI=1S/C6H6N2O3/c1-5-4-7(9)3-2-6(5)8(10)11/h2-4H,1H3
InChIKey
SSOURMYKACOBIV-UHFFFAOYSA-N
SMILES
C1[N+]([O-])=CC=C([N+]([O-])=O)C=1C
CAS DataBase Reference
1074-98-2(CAS DataBase Reference)
NIST Chemistry Reference
4-Nitro-3-picoline-n-oxide(1074-98-2)
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Safety

Hazard Codes 
Xn,Xi
Risk Statements 
40-20/21/22-36/37/38
Safety Statements 
45-36/37-36-26-22
RIDADR 
2811
WGK Germany 
3
RTECS 
UT5775000
Hazard Note 
Irritant/Possible Mutagen
HazardClass 
6.1
PackingGroup 
II
HS Code 
29333990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

H351Suspected of causing cancer

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P308+P313IF exposed or concerned: Get medical advice/attention.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
370061
Product name
3-Methyl-4-nitropyridine N-oxide
Purity
98%
Packaging
1g
Price
$105
Updated
2024/03/01
Sigma-Aldrich
Product number
370061
Product name
3-Methyl-4-nitropyridine N-oxide
Purity
98%
Packaging
5g
Price
$386
Updated
2024/03/01
TCI Chemical
Product number
N0527
Product name
3-Methyl-4-nitropyridine N-Oxide
Purity
>97.0%(T)
Packaging
5g
Price
$123
Updated
2024/03/01
TCI Chemical
Product number
N0527
Product name
3-Methyl-4-nitropyridine N-Oxide
Purity
>97.0%(T)
Packaging
25g
Price
$369
Updated
2024/03/01
Alfa Aesar
Product number
L06099
Product name
4-Nitro-3-picoline N-oxide, 98%
Packaging
5g
Price
$163
Updated
2021/12/16
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3-Methyl-4-nitropyridine N-Oxide Chemical Properties,Usage,Production

Chemical Properties

yellow crystalline needles or powder

General Description

3-Methyl-4-nitropyridine N-Oxide (POM) is an efficient nonlinear optical organic material having a high nonlinear coefficient and achieving the parametric emission process within the desired spectral range (1–2 μm). POM crystallizes in the orthorhombic class, space group P212121, and point group 222. It is a positive biaxial crystal. It melts at 136°C and the nonlinear coefficient is deff=10 pm/V[1]. This compound exhibits a negative-linear-compressibility (NLC) region as well as exceptionally large positive thermal expansion. The initial compression of the weak supramolecular network in the molecular POM crystal is analogous to the hydrostatic responses of the framework crystals with much stronger cohesion forces. 3-Methyl-4-nitropyridine N-Oxide is a commercial NLO material for pico- and femtosecond optics in the near-IR range[2].

Synthesis

Nitration of picoline-N-oxide in the fourth position yields 3-Methyl-4-nitropyridine N-Oxide. Initially, Picoline-N-oxide (50 g) was melted at 38C and mixed with sulfuric acid (250 ml) in cold condition. Later, nitration of this mixture was done at room temperature by addition of sodium nitrate (70 g) and the solution was continuously stirred until all the solid particles dissolves. Temperature was increased slowly to 70C by keeping it in an oil bath and solution was stirred continuously for 2 h at this temperature. To ensure complete nitration, the solution was maintained about 95–100C for 12 h with continuous stirring. The reaction mixture was taken out from the oil bath and cooled. It is then poured over crushed ice and neutralized with ammonia solution till the pH reaches about 7–8. On cooling, bright yellow crystalline 3-Methyl-4-nitropyridine N-Oxide powder was obtained. It was washed and dried in vacuum[1].

References

[1] Boomadevi, S. , H. P. Mittal , and R. Dhansekaran . "Synthesis, crystal growth and characterization of 3-methyl 4-nitropyridine 1-oxide (POM) single crystals."Journal of Crystal Growth 261.1(2004):55-62.
[2] Cai, Weizhao , et al. "Anomalous compression of a weakly CHO bonded nonlinear optical molecular crystal." Journal of Materials Chemistry C 2.32(2014).

3-Methyl-4-nitropyridine N-Oxide Preparation Products And Raw materials

Raw materials

Preparation Products

5-Azaindole 4-Chloro-3-methylpyridine
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3-Methyl-4-nitropyridine N-Oxide Suppliers

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View Lastest Price from 3-Methyl-4-nitropyridine N-Oxide manufacturers

Henan Aochuang Chemical Co.,Ltd.
Product
4-Nitro-3-picoline N-oxide 1074-98-2
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
1ton
Release date
2022-10-09
Hebei Zhanyao Biotechnology Co. Ltd
Product
4-Nitro-3-picoline N-oxide 1074-98-2
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
20 Tons
Release date
2021-10-18
Dideu Industries Group Limited
Product
4-Nitro-3-picoline N-oxide 1074-98-2
Price
US $1.10/g
Min. Order
1g
Purity
99.00%
Supply Ability
100 Tons min
Release date
2021-09-08

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