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Molecule
Iodonium, (4-Methylphenyl)[4-(2-Methylpropyl)Phenyl]-, Hexafluorophosphate(1-) (1:1)
CAS: 344562-80-7 · C17H20F6IP
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 344562-80-7
- Molecular Formula
- C17H20F6IP
- Molecular Mass
- 496.21 g/mol
Identifiers
CAS Registry Number
344562-80-7
SMILES
Cc1ccc([I+]c2ccc(CC(C)C)cc2)cc1.F[P-](F)(F)(F)(F)F
InChI Key
YNDYCGZWQZEBCS-UHFFFAOYSA-N
InChI
InChI=1S/C17H20I.F6P/c1-13(2)12-15-6-10-17(11-7-15)18-16-8-4-14(3)5-9-16;1-7(2,3,4,5)6/h4-11,13H,12H2,1-3H3;/q+1;-1
Names and Synonyms
- Iodonium, (4-Methylphenyl)[4-(2-Methylpropyl)Phenyl]-, Hexafluorophosphate(1-) (1:1) Synonym
- Iodonium, (4-methylphenyl)[4-(2-methylpropyl)phenyl]-, hexafluorophosphate(1-) (1:1) Synonym
- (4-Methylphenyl)[4-(2-methylpropyl)phenyl]iodonium hexafluorophosphate Synonym
- I 250 Synonym
- Photoinitiator 250 Synonym
- Omnirad 250 Synonym
- Iodonium, (4-methylphenyl)[4-(2-methylpropyl)phenyl]-, hexafluorophosphate(1-) Synonym
- 4-Isobutylphenyl-p-tolyliodonium hexafluorophosphate Synonym
- Irgacure 250 Synonym
- CGI 552 Synonym
- Darocur 250 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 496.21 g/mol | CAS Common Chemistry |
| 496.213 g/mol | RDKit | |
| Canonical SMILES | [F-][P+5]([F-])([F-])([F-])([F-])[F-].[I+](C1=CC=C(C=C1)C)C2=CC=C(C=C2)CC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H20I.F6P/c1-13(2)12-15-6-10-17(11-7-15)18-16-8-4-14(3)5-9-16;1-7(2,3,4,5)6/h4-11,13H,12H2,1-3H3;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=YNDYCGZWQZEBCS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Iodonium, (4-methylphenyl)[4-(2-methylpropyl)phenyl]-, hexafluorophosphate(1-) (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.704320000000004 | RDKit |
| 4.7043 | RDKit | |
| Molar Refractivity | 87.12500000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2941 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 496.02515459 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 496.21 g/mol. Edit any field — others recompute live.
