ChemicalBook > CAS DataBase List > 3-chloro-1H-pyrazole

3-chloro-1H-pyrazole

Product Name: 3-chloro-1H-pyrazole
CAS No.: 14339-33-4
Chemical Name: 3-chloro-1H-pyrazole
Synonyms: EOS-61387;3-Chloroyrazole;3-Chloropyrazole;5-Chloropyrazole;3-chloro-1H-pyrazole;1H-Pyrazole, 3-chloro-
CBNumber: CB42593960
Molecular Formula: C3H3ClN2
Formula Weight: 102.52
MOL File: 14339-33-4.mol

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3-chloro-1H-pyrazole Property

Melting point:: 40 °C
Boiling point:: 250.9±13.0 °C(Predicted)
Density: 1.405±0.06 g/cm3(Predicted)
storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
form: powder
pka: 11.04±0.10(Predicted)
color: White
InChI: InChI=1S/C3H3ClN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKey: IJPFBRONCJOTTA-UHFFFAOYSA-N
SMILES: N1C=CC(Cl)=N1

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Safety

HS Code: 2933992000

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

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

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

P312Call a POISON CENTER or doctor/physician if you feel unwell.

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N-Bromosuccinimide Price

Apolloscientific

Product number: OR183405
Product name: 3-Chloro-1H-pyrazole
Purity: 95%
Packaging: 1g
Price: $56
Updated: 2021/12/16

SynQuest Laboratories

Product number: 3H31-5-1H
Product name: 3-Chloro-1H-pyrazole
Purity: 95%
Packaging: 1g
Price: $61
Updated: 2021/12/16

AK Scientific

Product number: 7033AA
Product name: 3-Chloro-1H-pyrazole
Packaging: 250mg
Price: $89
Updated: 2021/12/16

Apolloscientific

Product number: OR183405
Product name: 3-Chloro-1H-pyrazole
Purity: 95%
Packaging: 5g
Price: $182
Updated: 2021/12/16

SynQuest Laboratories

Product number: 3H31-5-1H
Product name: 3-Chloro-1H-pyrazole
Purity: 95%
Packaging: 5G
Price: $200
Updated: 2021/12/16

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3-chloro-1H-pyrazole Chemical Properties,Usage,Production

Uses

5-Chloro-1h-pyrazole is used in preparation of aminoquinazolines as P2X3 inhibitors.

Synthesis

1820-80-0

14339-33-4

General procedure for the synthesis of 3-chloro-1H-pyrazole from 3-aminopyrazole: Concentrated hydrochloric acid (20 mL) was slowly added to a solution of acetonitrile (600 mL) containing 1H-pyrazol-3-amine (20.0 g, 241 mmol), followed by the addition of copper(II) chloride (65.0 g, 481 mmol) at 0 °C. The reaction mixture was stirred at 0 °C for 30 min followed by dropwise addition of isoamyl nitrite (56.4 g, 481 mmol). The reaction mixture was continued to be stirred at room temperature for 2 days. After completion of the reaction, the reaction was quenched with 10% aqueous ammonia solution (1 L). The aqueous phase was extracted with ethyl acetate (5 x 500 mL) and the combined organic phases were washed with saturated brine, dried over anhydrous sodium sulfate, filtered and concentrated. The residue was purified by silica gel column chromatography (eluent: hexane/ethyl acetate=20:1) to afford the target product 3-chloro-1H-pyrazole (10.3 g, 42% yield) as a green oil.1H NMR (400 MHz, CDCl3): δ 12.84 (br s, 1H), 7.62 (s, 1H), 6.29 (s, 1H).

References

[1] Patent: WO2018/85247, 2018, A1. Location in patent: Paragraph 00296; 00297

3-chloro-1H-pyrazole Preparation Products And Raw materials

Raw materials

Preparation Products

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14339-33-4, 3-chloro-1H-pyrazoleRelated Search:

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14339-33-4