Bis(4-t-butyl phenyl)iodonium hexafluorophosphate
Product Information
Molecular Formula
C20H26F6IP
Molecular Weight
538.29
Description
Bis(4-t-butyl phenyl)iodonium hexafluorophosphate is a powerful photoredox catalyst widely used in the biomedical industry. It efficiently induces radical reactions and aids in synthesizing various drug compounds. Additionally, it plays a crucial role in treating diseases like cancer, neurodegenerative disorders, and infectious diseases by facilitating the production of innovative drugs and therapeutic agents.
Synonyms
BIS(4-TERT-BUTYLPHENYL)IODONIUM HEXAFLUOROPHOSPHATE; Iodonium bis[4-(1,1-dimethylethyl)phenyl] Hexafluorophospha; Bis(4-t-butyl phenyl)iodonium hexafluorophosphate
IUPAC Name
bis(4-tert-butylphenyl)iodaniumhexafluorophosphate
SMILES
F[P-](F)(F)(F)(F)F.CC(C)(C)c1ccc([I+]c2ccc(cc2)C(C)(C)C)cc1
InChI
InChI=1S/C20H26I.F6P/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)61-7(2,3,4,5)6/h7-14H,1-6H3/q+1-1
InChI Key
CJLLNCQWBHTSCB-UHFFFAOYSA-N
Melting Point
174 °C
Purity
>98.0%(LC)(T)
Appearance
White to Almost white powder to crystal
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Signal Word
Danger
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
4
Exact Mass
538.07210 g/mol
Monoisotopic Mass
538.07210 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
28
Formal Charge
0
Complexity
335
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
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