ChemicalBook > CAS DataBase List > 1-methyl-2-nitroimidazole

1-methyl-2-nitroimidazole

Product Name
1-methyl-2-nitroimidazole
CAS No.
1671-82-5
Chemical Name
1-methyl-2-nitroimidazole
Synonyms
129542;1-methyl-2-nitroimidazole;2-Nitro-1-methylimidazole;-methyl-2-nitro-1H-imidazole;1-Methyl-2-nitro-1H-imidazole;1H-IMidazole,1-Methyl-2-nitro-;1H-Pyrazole,5-bromo-1-(tetrahydro-2H-pyran-7-yl)-
CBNumber
CB31380300
Molecular Formula
C4H5N3O2
Formula Weight
127.1
MOL File
1671-82-5.mol
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1-methyl-2-nitroimidazole Property

Melting point:
100-102 °C
Boiling point:
235.85°C (rough estimate)
Density 
1.4748 (rough estimate)
refractive index 
1.5000 (estimate)
storage temp. 
2-8°C
pka
1.10±0.25(Predicted)
Appearance
Off-white to yellow Solid
InChI
InChI=1S/C4H5N3O2/c1-6-3-2-5-4(6)7(8)9/h2-3H,1H3
InChIKey
HBMINVNVQUDERA-UHFFFAOYSA-N
SMILES
C1([N+]([O-])=O)N(C)C=CN=1
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H227Combustible liquid

H315Causes skin irritation

H317May cause an allergic skin reaction

H318Causes serious eye damage

H335May cause respiratory irritation

H350May cause cancer

H412Harmful to aquatic life with long lasting effects

Precautionary statements

P201Obtain special instructions before use.

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P273Avoid release to the environment.

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

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

TRC
Product number
M341035
Product name
1-Methyl-2-nitro-1H-imidazole
Packaging
50mg
Price
$90
Updated
2021/12/16
TRC
Product number
M341035
Product name
1-Methyl-2-nitro-1H-imidazole
Packaging
10mg
Price
$45
Updated
2021/12/16
AK Scientific
Product number
8515AA
Product name
1-Methyl-2-nitro-1H-imidazole
Packaging
10g
Price
$872
Updated
2021/12/16
Matrix Scientific
Product number
133232
Product name
1-Methyl-2-nitro-1H-imidazole
Purity
97%
Packaging
500mg
Price
$339
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0125676
Product name
1-METHYL-2-NITROIMIDAZOLE
Purity
95.00%
Packaging
5MG
Price
$498.38
Updated
2021/12/16
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1-methyl-2-nitroimidazole Chemical Properties,Usage,Production

Synthesis

527-73-1

74-88-4

1671-82-5

GENERAL STEPS: Cesium carbonate (Cs2CO3, 4.3 g, 13.3 mmol) was added to a stirred N,N-dimethylformamide (DMF, 6 mL) solution of 2-nitro-1H-imidazole (500 mg, 4.42 mmol) under nitrogen protection. Subsequently, iodomethane (Mel, 942 mg, 6.63 mmol) was slowly added to the reaction system. The resulting mixture was stirred and reacted at 50 °C overnight. Upon completion of the reaction, the reaction was quenched with saturated aqueous sodium bicarbonate (NaHCO3) and extracted with ethyl acetate (EA, 25 mL x 3). The organic layers were combined, dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure. The crude product was purified by fast column chromatography (silica gel, eluent: petroleum ether/ethyl acetate, 0-50% gradient) to afford 1-methyl-2-nitro-1H-imidazole (542-1) (530 mg, 100% yield) as a yellow solid. lC-MS (ESI): m/z [M + H]+ 128.1.

References

[1] Patent: WO2016/4272, 2016, A1. Location in patent: Paragraph 00798

1-methyl-2-nitroimidazole Preparation Products And Raw materials

Raw materials

Preparation Products

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