Pyridine, 2-methyl-4-nitro-, 1-oxide
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Pyridine, 2-methyl-4-nitro-, 1-oxide
structure -
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CAS No:
5470-66-6
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Formula:
C6H6N2O3
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Chemical Name:
Pyridine, 2-methyl-4-nitro-, 1-oxide
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Synonyms:
Pyridine,2-methyl-4-nitro-,1-oxide;2-Picoline,4-nitro-,1-oxide;4-Nitro-2-methylpyridine N-oxide;4-Nitro-α-picoline N-oxide;2-Methyl-4-nitropyridine 1-oxide;4-Nitro-2-picoline N-oxide;2-Methyl-4-nitropyridine N-oxide;4-Nitro-2-methylpyridine 1-oxide;NSC 27962;2-Methyl-4-nitropyridin-1-ium-1-olate;2-Methyl-4-nitro-1-oxidopyridin-1-ium
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CAS No:
Pyridine, 2-methyl-4-nitro-, 1-oxide Basic Attributes
154.12
154.12
135501
-0
27962
DTXSID30203168
2933399090
Characteristics
71.3
0.1
yellow to light orange powder
1.4±0.1 g/cm3
156-156.5 °C
404.0±25.0°C at 760 mmHg
198.1±23.2 °C
1.585
2-8°C
Safety Information
Ⅲ
6.1
2811
3
20/21/22-36/37/38-40
22-26-36
UT5710000
Xn,Xi
P261-P280-P305 + P351 + P338
H302-H312-H315-H319-H332-H335-H351
|Warning|H302 (89.36%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Pyridine, 2-methyl-4-nitro-, 1-oxide Use and Manufacturing
To a solution of 2-methylpyridine 1-oxide (4g, 36.Ommol) in conc. H2S04 (lOmL) was added fuming HNO3 (lOmL) slowly at 000 in a sealed tube. The reaction mixture was stirred at 70 00 for 16 h. The TLC showed reaction to be complete. Reaction was cooled to rt, quenched with ice-cold water (lOOmL) and extracted with EtOAc (3x5OmL). The organics were dried (Na2SO4), filtered and concentrated under reduced pressure. The residue was triturated with 10percent EtOAc in hexane (5OmL) to afford 2-methyl-4-nitropyridine 1-oxide as yellow solid. Yield: 4g (70percent);1H NMR (400 MHz, DMSO-d6): 8.41-8.45 (m, 2H), 8.06-8.10 (m, 1H), 2.42(s 3H).
A nitroheterocyclic compound and its potential suitability as radiosensitizer for cancer radiotherapy.
Computed Properties
Molecular Weight:154.12
XLogP3:0.1
Hydrogen Bond Acceptor Count:3
Exact Mass:154.03784206
Monoisotopic Mass:154.03784206
Topological Polar Surface Area:71.3
Heavy Atom Count:11
Complexity:156
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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