ChemicalBook > CAS DataBase List > 5-IODO-1-METHYL-1H-PYRAZOLE

5-IODO-1-METHYL-1H-PYRAZOLE

Product Name
5-IODO-1-METHYL-1H-PYRAZOLE
CAS No.
34091-51-5
Chemical Name
5-IODO-1-METHYL-1H-PYRAZOLE
Synonyms
5-Iodo-1-methylpyrazole;1-Methyl-5-iodopyrazole;5-Iodo-1-methylpyrazole>5-IODO-1-METHYL-1H-PYRAZOLE;1H-Pyrazole, 5-iodo-1-methyl-;5-Iodo-1-methyl-1H-pyrazole,97%;5-Iodo-1-methyl-1H-pyrazole
CBNumber
CB31486886
Molecular Formula
C4H5IN2
Formula Weight
208
MOL File
34091-51-5.mol
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5-IODO-1-METHYL-1H-PYRAZOLE Property

Melting point:
80℃
Boiling point:
226.9±13.0℃ (760 Torr)
Density 
2.07±0.1 g/cm3 (20 ºC 760 Torr)
Flash point:
91.1±19.8℃
storage temp. 
2-8°C
solubility 
soluble in Methanol
form 
solid
pka
1.02±0.10(Predicted)
Appearance
Off-white to light yellow Solid
Sensitive 
Moisture & Light Sensitive
InChIKey
RJYWUQWCLZYCTI-UHFFFAOYSA-N
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Safety

Hazard Codes 
Xi
Risk Statements 
37/38-41
Safety Statements 
26-39
WGK Germany 
3
HS Code 
2933199090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H315Causes skin irritation

H318Causes serious eye damage

H335May cause respiratory irritation

Precautionary statements

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

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

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
756334
Product name
5-Iodo-1-methyl-1H-pyrazole
Purity
97%
Packaging
1g
Price
$115
Updated
2023/06/20
TCI Chemical
Product number
I0963
Product name
5-Iodo-1-methylpyrazole
Purity
>98.0%(GC)
Packaging
1g
Price
$115
Updated
2025/07/31
TCI Chemical
Product number
I0963
Product name
5-Iodo-1-methylpyrazole
Purity
>98.0%(GC)
Packaging
5g
Price
$340
Updated
2025/07/31
TRC
Product number
I709043
Product name
5-Iodo-1-methyl-1H-pyrazole
Packaging
50mg
Price
$45
Updated
2021/12/16
TRC
Product number
I709043
Product name
5-Iodo-1-methyl-1H-pyrazole
Packaging
100mg
Price
$60
Updated
2021/12/16
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5-IODO-1-METHYL-1H-PYRAZOLE Chemical Properties,Usage,Production

Synthesis

930-36-9

34091-51-5

Under nitrogen protection, 1-methylpyrazole (6.00 g) was dissolved in tetrahydrofuran (120 mL) and n-butyllithium (39.0 mL, 2.6 M hexane solution) was slowly added dropwise. After the dropwise addition, the reaction solution was stirred for 30 minutes. Subsequently, the reaction solution was cooled in an ice bath and stirred for 1 hour. Next, the temperature of the reaction solution was lowered to -78°C and a tetrahydrofuran (50 mL) solution of iodine (28.0 g) was slowly added dropwise. After the dropwise addition was completed, the reaction solution continued to be stirred at -78 °C for 1 hour. Afterwards, the reaction solution was allowed to slowly warm to room temperature and stirred overnight. Upon completion of the reaction, 30% aqueous sodium thiosulfate was added to the reaction solution to quench the reaction, followed by distillation under reduced pressure to remove the solvent. The residue was extracted with ethyl acetate and the organic layer was washed with saturated brine and dried over anhydrous sodium sulfate. The dried organic layer was concentrated under reduced pressure and the solid obtained was washed with n-hexane to give the final 5-iodo-1-methyl-1H-pyrazole (11.4 g) in the form of a maroon solid. The product was characterized by 1H NMR (200 MHz, chloroform-d): δppm 3.94 (s, 3H), 6.43 (d, J = 2.20 Hz, 1H), 7.47 (d, J = 1.76 Hz, 1H); mass spectrum (ESI pos.) m/z 209 [M + H]+.

References

[1] Chemical Communications, 2014, vol. 50, # 85, p. 12859 - 12862
[2] Patent: WO2016/109706, 2016, A1. Location in patent: Page/Page column 214; 215
[3] Tetrahedron Letters, 2011, vol. 52, # 36, p. 4590 - 4594
[4] Journal of Organic Chemistry, 1984, vol. 49, # 24, p. 4687 - 4695
[5] Patent: US2013/123500, 2013, A1. Location in patent: Paragraph 0225; 0226

5-IODO-1-METHYL-1H-PYRAZOLE Preparation Products And Raw materials

Raw materials

Preparation Products

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5-IODO-1-METHYL-1H-PYRAZOLE Suppliers

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View Lastest Price from 5-IODO-1-METHYL-1H-PYRAZOLE manufacturers

Shaanxi Dideu Medichem Co. Ltd
Product
5-Iodo-1-Methyl-1H-pyrazole 34091-51-5
Price
US $1.00/Kg
Min. Order
1Kg
Purity
98%
Supply Ability
20T
Release date
2024-08-02
Career Henan Chemical Co
Product
5-IODO-1-METHYL-1H-PYRAZOLE 34091-51-5
Price
US $1.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
200KG
Release date
2018-12-19