144754

4-Phenylimidazole

97%

• Empirical Formula (Hill Notation): C₉H₈N₂
• CAS Number: 670-95-1
• Molecular Weight: 144.17
• Beilstein/REAXYS Number: 2969
• EC Number: 211-580-1
• MDL number: MFCD00005197
• UNSPSC Code: 12352005
• PubChem Substance ID: 24848681
• NACRES: NA.22

Properties

• assay: 97%
• mp: 128-131 °C (lit.)
• solubility: acetone: soluble 25 mg/mL, clear, colorless to yellow (typical)
• functional group: phenyl
• SMILES string: c1ccc(cc1)-c2c[nH]cn2
• InChI: 1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
• InChI key: XHLKOHSAWQPOFO-UHFFFAOYSA-N

Description

Application

4-Phenylimidazole was used to investigate the protein-ligand interactions in cytochrome P450 from the thermoacidophile Picrophilus torridus. It was used as heme ligand during the crystallization of recombinant human indoleamine 2,3-dioxygenase. It was used in the synthesis of complexes of copper and cobalt.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves