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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-B-picoline N-oxide;4-NITRO-3-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
Molecular Weight:
154.12
MDL Number:
MFCD00014626
MOL File:
1074-98-2.mol
MSDS File:
SDS
Last updated:2023-11-07 14:02:45

3-Methyl-4-nitropyridine N-Oxide Properties

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)
EWG's Food Scores 1
FDA UNII 34OB5D19MK
NIST Chemistry Reference 4-Nitro-3-picoline-n-oxide(1074-98-2)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictograms
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  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
NFPA 704
0
2 0

3-Methyl-4-nitropyridine N-Oxide price More Price(23)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 370061 3-Methyl-4-nitropyridine N-oxide 98% 1074-98-2 1g $105 2024-03-01 Buy
Sigma-Aldrich 370061 3-Methyl-4-nitropyridine N-oxide 98% 1074-98-2 5g $386 2024-03-01 Buy
TCI Chemical N0527 3-Methyl-4-nitropyridine N-Oxide >97.0%(T) 1074-98-2 5g $123 2024-03-01 Buy
TCI Chemical N0527 3-Methyl-4-nitropyridine N-Oxide >97.0%(T) 1074-98-2 25g $369 2024-03-01 Buy
Alfa Aesar L06099 4-Nitro-3-picoline N-oxide, 98% 1074-98-2 5g $163 2021-12-16 Buy
Product number Packaging Price Buy
370061 1g $105 Buy
370061 5g $386 Buy
N0527 5g $123 Buy
N0527 25g $369 Buy
L06099 5g $163 Buy

3-Methyl-4-nitropyridine N-Oxide Chemical Properties,Uses,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).

108-99-6
1074-98-2
Synthesis of 3-Methyl-4-nitropyridine N-Oxide from 3-Picoline
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View Lastest Price from 3-Methyl-4-nitropyridine N-Oxide manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
4-Nitro-3-picoline N-oxide pictures 2022-10-10 4-Nitro-3-picoline N-oxide
1074-98-2
US $0.00-0.00 / KG 1KG 98% 1ton Henan Aochuang Chemical Co.,Ltd.
4-Nitro-3-picoline N-oxide pictures 2021-10-19 4-Nitro-3-picoline N-oxide
1074-98-2
US $10.00 / KG 1KG 99% 20 Tons Hebei Zhanyao Biotechnology Co. Ltd
4-Nitro-3-picoline N-oxide pictures 2021-09-09 4-Nitro-3-picoline N-oxide
1074-98-2
US $1.10 / g 1g 99.00% 100 Tons min Dideu Industries Group Limited
3-METHYL-4-NITROPYRIDINE N-OXIDE 98% 4-Nitro-3-picoline-N-oxide 99% 4-NITRO-3-PICOLINE N-OXIDE 3-METHYL-4-NITROPYRIDINE 1-OXIDE 3-METHYL-4-NITROPYRIDINE N-OXIDE 4-Nitro-B-picoline N-oxide 3-Methyl-4-nitropyridine N-oxide,98% 3-Methyl-4-nitropyri 3-Methyl-4-nitropyridine N-oxide ,97% 3-Methyl-4-nitro-1$l^{5}-pyridin-1-one 3-Methyl-4-nitropyridine N-oxide, 98% 1GR 3-Methyl-4-nitro-pyridin1-o×ide 4-Nitro-3-picoline N-oxide, 3-Methyl-4-nitropyridinium-1-olate 3-methyl-4-nitro-pyridin1-oxide 3-Picoline, 4-nitro-, 1-oxide 4-Nitro-3-methylpyridine N-oxide 4-Nitro-3-picoline 1-oxide 4-Nitro-beta-picoline N-oxide 5-Methyl-4-nitropyridine N-oxide Pyridine, 3-methyl-4-nitro-, 1-oxide 3-Methyl-4-nitropyridine N-Oxide 3-methyl-4-nitro-1-oxidopyridin-1-ium 3-Methyl-4-nitro-1$l^{5 3-METHYL-4-NITROPYRIDINE N-OXIDE4-Nitro-3-picoline-N-oxide 3-Methyl-4-nitropyridin-1-oxid 3-Methyl-4-nitropyridineN-Oxide> -4-nitropyridine N-Oxide 4-Nitro-3-picoline N-oxide ISO 9001:2015 REACH Pyridine, 3-methyl-4-nitro-, 1-oxide (9CI, ACI) 3-methyl-4-nitro-Pyridine 1-oxide (9CI ACI) 3-Methyl-4-nitropyridine oxide 1074-98-2 1047-98-0 1074-98-0 Organic Nonlinear Optical Materials CHIRAL CHEMICALS NLO Chromophores and Intermediates Non-Linear Optical (NLO) Materials Photonic and Optical Materials Pyridines Functional Materials Organic Nonlinear Optical Materials Pyridine