5-chloro-1-Methyl-4-nitro-1H-pyrazole
Application- Product Name
- 5-chloro-1-Methyl-4-nitro-1H-pyrazole
- CAS No.
- 42098-25-9
- Chemical Name
- 5-chloro-1-Methyl-4-nitro-1H-pyrazole
- Synonyms
- 100082;5-Chloro-1-methyl-4-nitropyrazole;5-chloro-1-Methyl-4-nitro-1H-pyrazole;5-CHLORO-1-METHYL-4-NITRO-1H-IMADAZOLE;1H-Pyrazole, 5-chloro-1-Methyl-4-nitro-;5-Chloro-1-methyl-4-nitro-1H-pyrazole 97%
- CBNumber
- CB42552734
- Molecular Formula
- C4H4ClN3O2
- Formula Weight
- 161.55
- MOL File
- 42098-25-9.mol
5-chloro-1-Methyl-4-nitro-1H-pyrazole Property
- Melting point:
- 135-137℃
- Boiling point:
- 273℃
- Density
- 1.65
- Flash point:
- 119℃
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -3.31±0.10(Predicted)
- Appearance
- White to yellow Solid
Safety
- HS Code
- 29331990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
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.
N-Bromosuccinimide Price
- Product number
- C993430
- Product name
- 5-Chloro-1-methyl-4-nitro-1H-pyrazole
- Packaging
- 50mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- C993430
- Product name
- 5-Chloro-1-methyl-4-nitro-1H-pyrazole
- Packaging
- 100mg
- Price
- $90
- Updated
- 2021/12/16
- Product number
- C993430
- Product name
- 5-Chloro-1-methyl-4-nitro-1H-pyrazole
- Packaging
- 500mg
- Price
- $310
- Updated
- 2021/12/16
- Product number
- CS-B1287
- Product name
- 5-chloro-1-methyl-4-nitro-1H-pyrazole
- Purity
- ≥98.0%
- Packaging
- 250mg
- Price
- $62
- Updated
- 2021/12/16
- Product number
- X5554
- Product name
- 5-Chloro-1-methyl-4-nitro-1H-pyrazole
- Packaging
- 100mg
- Price
- $123
- Updated
- 2021/12/16
5-chloro-1-Methyl-4-nitro-1H-pyrazole Chemical Properties,Usage,Production
Application
5-Chloro-1-methyl-4-nitropyrazole can be used as an organic synthesis intermediate and a pharmaceutical intermediate in laboratory research and development processes and in the synthesis of pharmaceutical chemicals.
Synthesis
3994-50-1
42098-25-9
Example 1: General procedure for the synthesis of 5-chloro-1-methyl-4-nitro-1H-pyrazole from 1-methyl-4-nitropyrazole (a) Synthesis of 5-chloro-1-methyl-4-nitro-1H-pyrazole A THF solution of lithium bis(trimethylsilyl)amide (1.0 M, 65 mL, 65 mmol) was slowly added dropwise to a solution of dichloromethane (120 mL) containing 1-methyl-4-nitro-1H-pyrazole (5.50 g, 43.3 mmol) and hexachloroethane (10.54 g, 44.5 mmol) at 25 °C. The reaction mixture was stirred continuously at 25 °C for 60 min, followed by quenching the reaction with 1 mL of water. The mixture was concentrated to dryness and the residue was washed sequentially with 50 mL of water, saturated NaHCO3 solution (2 x 30 mL) and 30 mL of brine, and finally dried under vacuum to give 6.50 g of the target product in 93% yield. MS(ESI) m/z: 162.0 [M+H]+. 1H NMR (500MHz, CDCl3) δ: 8.15 (s, 1H), 3.92 (s, 3H).
References
[1] Patent: WO2016/90380, 2016, A1. Location in patent: Paragraph 0021
[2] Patent: US2015/57265, 2015, A1. Location in patent: Paragraph 0714
[3] Patent: CN108373476, 2018, A. Location in patent: Paragraph 0237-0239; 0242; 0243; 0290; 0294
[4] Patent: US2011/251176, 2011, A1. Location in patent: Page/Page column 103
[5] Patent: US2013/79321, 2013, A1. Location in patent: Paragraph 0177; 0178; 0179
5-chloro-1-Methyl-4-nitro-1H-pyrazole Preparation Products And Raw materials
Raw materials
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