1-Benzyl-4-iodo-1H-pyrazole

Product Name: 1-Benzyl-4-iodo-1H-pyrazole
CAS No.: 50877-42-4
Chemical Name: 1-Benzyl-4-iodo-1H-pyrazole
Synonyms: -4-iodo-1H-pyrazoL;benzyl-4-iodo-1H-pyrazole;1-Benzyl-4-iodo-1H-pyraole;1-(benzyl)-4-iodo-pyrazole;1-BENZYL-4-IODO-1H-PYRAZOLE;1H-(N-BENZYL)-4-IODOPYRAZOLE;1-benzyl-4-iodine-1H-pyrazole;4-iodo-1-(phenylmethyl)pyrazole;4-Iodo-1-benzyl-1H-pyrazole, 95%;1-Benzyl-4-iodo-1H-pyrazole
CBNumber: CB3200155
Molecular Formula: C10H9IN2
Formula Weight: 284.1
MOL File: 50877-42-4.mol

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1-Benzyl-4-iodo-1H-pyrazole Property

Melting point:: 62-66 °C
Boiling point:: 367.1±25.0 °C(Predicted)
Density: 1.67±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 0.11±0.10(Predicted)
color: White to Orange to Green
InChI: 1S/C10H9IN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKey: PVEYRBGIYMWFPB-UHFFFAOYSA-N
SMILES: Ic1cnn(Cc2ccccc2)c1
CAS DataBase Reference: 50877-42-4(CAS DataBase Reference)

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Safety

Hazard Codes: Xi
Risk Statements: 36/37/38-41-37/38
Safety Statements: 26-36-39
WGK Germany: 3
HazardClass: IRRITANT
HS Code: 2933199090
Storage Class: 11 - Combustible Solids
Hazard Classifications: Eye Dam. 1
Skin Irrit. 2
STOT SE 3

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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

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

P302+P352IF ON SKIN: wash with plenty of soap and water.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 683574
Product name: 1-Benzyl-4-iodo-1H-pyrazole
Purity: 97%
Packaging: 1g
Price: $36.5
Updated: 2023/06/20

TCI Chemical

Product number: B5286
Product name: 1-Benzyl-4-iodo-1H-pyrazole
Purity: >98.0%(GC)
Packaging: 1g
Price: $106
Updated: 2025/07/31

TCI Chemical

Product number: B5286
Product name: 1-Benzyl-4-iodo-1H-pyrazole
Purity: >98.0%(GC)
Packaging: 5g
Price: $329
Updated: 2025/07/31

TRC

Product number: B130048
Product name: 1-Benzyl-4-iodo-1H-pyrazole
Packaging: 50mg
Price: $45
Updated: 2021/12/16

TRC

Product number: B130048
Product name: 1-Benzyl-4-iodo-1H-pyrazole
Packaging: 500mg
Price: $90
Updated: 2021/12/16

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1-Benzyl-4-iodo-1H-pyrazole Chemical Properties,Usage,Production

Synthesis

3469-69-0

100-39-0

50877-42-4

Step 1. Synthesis of 1-benzyl-4-iodo-1H-pyrazole; 4-iodo-1H-pyrazole (17 g, 87.63 mmol, 1.00 eq.) was dissolved in N,N-dimethylformamide (150 mL) in a 250 mL round bottom flask. Sodium hydride (3.6 g, 105.00 mmol, 1.20 eq., 70% dispersed in mineral oil) was added in batches at 0 °C. Subsequently, benzyl bromide (16.5 g, 96.49 mmol, 1.10 eq.) was added dropwise at the same temperature. The reaction mixture was slowly warmed to room temperature and stirring was continued for 2 hours. Upon completion of the reaction, the reaction was quenched with an ice-water mixture (200 mL). The reaction mixture was extracted with ethyl acetate (3 x 200 mL). The organic layers were combined, dried over anhydrous sodium sulfate, filtered and concentrated on a rotary evaporator to give 1-benzyl-4-iodo-1H-pyrazole as a yellow solid (22 g, 80% yield).

References

[1] Organic Letters, 2017, vol. 19, # 19, p. 5114 - 5117
[2] Patent: WO2006/84338, 2006, A1. Location in patent: Page/Page column 63
[3] Patent: US8080566, 2011, B1. Location in patent: Page/Page column 56-57
[4] Patent: WO2016/615, 2016, A1. Location in patent: Paragraph 00555
[5] Patent: WO2014/128465, 2014, A1. Location in patent: Page/Page column 160; 161

1-Benzyl-4-iodo-1H-pyrazole Preparation Products And Raw materials

Raw materials

Preparation Products

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1-Benzyl-4-iodo-1H-pyrazole Suppliers

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View Lastest Price from 1-Benzyl-4-iodo-1H-pyrazole manufacturers

Career Henan Chemical Co

Product: 1-Benzyl-4-iodo-1H-pyrazole 50877-42-4
Price: US $6.60/KG
Min. Order: 1KG
Purity: 97%-99%
Supply Ability: 1kg -1000kg
Release date: 2020-01-02

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50877-42-4

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