diphenyliodanium iodide

• ChemBase ID: 145146
• Molecular Formular: C12H10I2
• Molecular Mass: 408.01674
• Monoisotopic Mass: 407.88719632
• SMILES: c1ccc(cc1)[I+]c1ccccc1.[I-]
• Canonical SMILES: c1ccc(cc1)[I+]c1ccccc1.[I-]
• InChI: InChI=1S/C12H10I.HI/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10H;1H/q+1;/p-1
• InChIKey: WQIRVUAXANLUPO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenyliodanium iodide
• IUPAC Traditional name: diphenyliodanium iodide
• Synonyms: Diphenyliodonium iodide; 碘化二苯基碘

Database IDs

• CAS Number: 2217-79-0
• EC Number: 218-716-9
• MDL Number: MFCD00011910
• Beilstein Number: 3918215
• PubChem SID: 162239356
• PubChem CID: 102228

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5634055
• LogD (pH = 7.4): 4.5634055
• Log P: 4.5634055
• Molar Refractivity: 64.8948 cm^3
• Polarizability: 28.086405 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162-164°C

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: Toxic (T); Irritant (Xi)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 25-36/37/38; 36/37/38
• Safety Statements: 26-36/37-45; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C12H12I2