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5-chloro-1-methyl-1H-pyrazole-4-carbonitrile

Product Name
5-chloro-1-methyl-1H-pyrazole-4-carbonitrile
CAS No.
111493-52-8
Chemical Name
5-chloro-1-methyl-1H-pyrazole-4-carbonitrile
Synonyms
5-chloro-1-methylpyrazole-4-carbonitrile;5-chloro-1-methyl-1H-pyrazole-4-carbonitrile;1H-Pyrazole-4-carbonitrile, 5-chloro-1-methyl-
CBNumber
CB82512644
Molecular Formula
C5H4ClN3
Formula Weight
141.56
MOL File
111493-52-8.mol
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5-chloro-1-methyl-1H-pyrazole-4-carbonitrile Property

Melting point:
63-64℃
Boiling point:
270℃
Density 
1.34
Flash point:
117℃
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
pka
-2.65±0.10(Predicted)
Appearance
Yellow to brown Solid
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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

TRC
Product number
C369908
Product name
5-Chloro-1-methyl-1H-pyrazole-4-carbonitrile
Packaging
100mg
Price
$265
Updated
2021/12/16
Biosynth Carbosynth
Product number
FC141655
Product name
5-Chloro-1-methyl-1H-pyrazole-4-carbonitrile
Packaging
500mg
Price
$340
Updated
2021/12/16
Biosynth Carbosynth
Product number
FC141655
Product name
5-Chloro-1-methyl-1H-pyrazole-4-carbonitrile
Packaging
50mg
Price
$56
Updated
2021/12/16
Biosynth Carbosynth
Product number
FC141655
Product name
5-Chloro-1-methyl-1H-pyrazole-4-carbonitrile
Packaging
100mg
Price
$98
Updated
2021/12/16
Biosynth Carbosynth
Product number
FC141655
Product name
5-Chloro-1-methyl-1H-pyrazole-4-carbonitrile
Packaging
250mg
Price
$195
Updated
2021/12/16
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5-chloro-1-methyl-1H-pyrazole-4-carbonitrile Chemical Properties,Usage,Production

Synthesis

5334-41-8

111493-52-8

Step 3: Synthesis of 5-chloro-1-methyl-1H-pyrazole-4-carbonitrile 5-Amino-1-methyl-1H-pyrazole-4-carbonitrile (12.1 g, 0.099 mol) was mixed with hydrochloric acid (72.6 ml, concentration: 35-37%) in deionized water (60.0 ml) and stirred at room temperature. The reaction mixture was cooled to 0 to 5°C and sodium nitrite solution (prepared from sodium nitrite (8.2 g, 0.119 mole) dissolved in deionized water (240 ml)) was added slowly. The reaction mixture was stirred at 0 to 5°C for 1-1.5 hours. Subsequently, urea solution (prepared from urea (1.2 g) dissolved in deionized water (6.0 ml)) was added slowly. Solid cuprous chloride (12.8 g, 0.129 mol) was added to the reaction mixture and stirred at 0 to 5°C for 3-4 hours. The reaction temperature was then raised to room temperature and stirring was continued for 12-18 hours. The reaction process was monitored by HPLC. Upon completion of the reaction, deionized water (120 ml) and 25% (w/v) aqueous sodium hydroxide solution (80.0 ml) were added to the mixture and the pH was adjusted to 3-3.5. 1,2-dichloroethane was added and stirred for 10-15 min at 45-50°C. The reaction was carried out at a temperature of 0 to 5°C for 10 min. Inorganic salts were removed by filtration through a hyflo bed. Separate the organic layer and extract the aqueous layer with 1,2-dichloroethane. The organic layers were combined, transferred to a reaction vessel and washed with 10% brine solution (50.0 ml). The organic layer was evaporated to give 5-chloro-1-methyl-1H-pyrazole-4-carbonitrile. Dry weight: 1.18 g Yield: 0.97 w/w (84%) HPLC purity: 93.34% Melting point: 55-60°C

References

[1] Patent: WO2014/2111, 2014, A1. Location in patent: Page/Page column 38; 39
[2] Patent: WO2014/2110, 2014, A1. Location in patent: Page/Page column 80
[3] Patent: US2015/112063, 2015, A1. Location in patent: Paragraph 0211

5-chloro-1-methyl-1H-pyrazole-4-carbonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

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5-chloro-1-methyl-1H-pyrazole-4-carbonitrile Suppliers

Shanghai Cuisen Pharmaceutical Technology Co., Ltd.
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SuZhou ShiYa Biopharmaceuticals, Inc.
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Nanjing Chemcn Pharmaceutical Co., Ltd.
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Nanjing YaoCheng Pharmaceutical Co., Ltd.
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View Lastest Price from 5-chloro-1-methyl-1H-pyrazole-4-carbonitrile manufacturers

Career Henan Chemical Co
Product
5-chloro-1-methyl-1H-pyrazole-4-carbonitrile 111493-52-8
Price
US $1.00/g
Min. Order
1g
Purity
99%
Supply Ability
200kg
Release date
2020-01-14

111493-52-8, 5-chloro-1-methyl-1H-pyrazole-4-carbonitrileRelated Search:


  • 5-chloro-1-methyl-1H-pyrazole-4-carbonitrile
  • 1H-Pyrazole-4-carbonitrile, 5-chloro-1-methyl-
  • 5-chloro-1-methylpyrazole-4-carbonitrile
  • 111493-52-8