213993

4-Iodopyrazole

99%

• Empirical Formula (Hill Notation): C₃H₃IN₂
• CAS Number: 3469-69-0
• Molecular Weight: 193.97
• EC Number: 222-434-1
• MDL number: MFCD00005244
• UNSPSC Code: 12352100
• PubChem Substance ID: 24852817
• NACRES: NA.22

Properties

• Quality Level: 200
• Assay: 99%
• form: solid
• mp: 108-110 °C (lit.)
• functional group: iodo
• SMILES string: Ic1cn[nH]c1
• InChI: 1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
• InChI key: LLNQWPTUJJYTTE-UHFFFAOYSA-N

Description

General description

4-Iodopyrazole is a valuable intermediate for the synthesis of biologically active compounds. It undergoes iodination in the presence of iodine and ammonium hydroxide to yield 3,4-di-iodo- and 3,4,5-tri-iodo-pyrazole.

Application

4-Iodopyrazole was used in an indium-mediated synthesis of heterobiaryls.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302,H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves