diphenyliodanium nitrate

• ChemBase ID: 147778
• Molecular Formular: C12H10INO3
• Molecular Mass: 343.11717
• Monoisotopic Mass: 342.97054119
• SMILES: c1ccc(cc1)[I+]c1ccccc1.[N+](=O)([O-])[O-]
• Canonical SMILES: c1ccc(cc1)[I+]c1ccccc1.[O-][N+](=O)[O-]
• InChI: InChI=1S/C12H10I.NO3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3)4/h1-10H;/q+1;-1
• InChIKey: CQZCVYWWRJDZBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenyliodanium nitrate
• IUPAC Traditional name: diphenyliodanium nitrate
• Synonyms: DPIN; Diphenyliodonium nitrate; 二苯基碘硝酸盐

Database IDs

• CAS Number: 722-56-5
• EC Number: 211-962-8
• MDL Number: MFCD00031704
• Beilstein Number: 3922747
• PubChem SID: 24847778; 24866950; 162241961
• PubChem CID: 12876

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: 150-154 °C(lit.); 152-156 °C; ca 150°C dec.
• Absorption Wavelength: λmax 203 nm; λmax 226 nm (2nd)

Safety Information

• Storage Warning: Light Sensitive
• RTECS: NN6665000
• European Hazard Symbols: Oxidising (O); Toxic (T)
• UN Number: 1479; UN3087
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2; III
• Risk Statements: 8; 8-25-36/37/38
• Safety Statements: 17; 17-26-36/37-45
• TSCA Listed: 否
• GHS Pictograms: GHS03; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H272; H272-H301-H315-H319-H335
• GHS Precautionary statements: P220; P221-P210-P301+P310-P305+P351+P338-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1479 5.1/PG 2

Product Information

• Purity: ≥97.0% (CHN); 97%
• Grade: purum
• Impurities: ≤4% water
• Linear Formula: (C6H5)2INO3

DETAILS

Sigma Aldrich - 127396

Application
Cationic photoinitiator. Photoacid generator.
Packaging
25 g in glass bottle