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6293-66-9 molecular structure
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diphenyliodanium 4-methylbenzene-1-sulfonate

ChemBase ID: 148161
Molecular Formular: C19H17IO3S
Molecular Mass: 452.30595
Monoisotopic Mass: 451.9943134
SMILES and InChIs

SMILES:
Cc1ccc(cc1)S(=O)(=O)[O-].c1ccc(cc1)[I+]c1ccccc1
Canonical SMILES:
c1ccc(cc1)[I+]c1ccccc1.Cc1ccc(cc1)S(=O)(=O)[O-]
InChI:
InChI=1S/C12H10I.C7H8O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey:
UMIKAXKFQJWKCV-UHFFFAOYSA-M

Cite this record

CBID:148161 http://www.chembase.cn/molecule-148161.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diphenyliodanium 4-methylbenzene-1-sulfonate
IUPAC Traditional name
diphenyliodanium tosylate
Synonyms
DPIpTS
Diphenyliodonium p-toluenesulfonate
二苯基碘鎓对甲苯磺酸盐
CAS Number
6293-66-9
MDL Number
MFCD00467678
PubChem SID
24877791
162242338
PubChem CID
22723

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
530980 external link Add to cart Please log in.
Data Source Data ID
PubChem 22723 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.5634055  LogD (pH = 7.4) 4.5634055 
Log P 4.5634055  Molar Refractivity 64.8948 cm3
Polarizability 28.086405 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
ethyl lactate: <1% expand Show data source
PGMEA: <1% expand Show data source
γ-butyrolactone: ~5% expand Show data source
Melting Point
188-191 °C(lit.) expand Show data source
Absorption Wavelength
λmax 222 nm expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99% trace metals basis expand Show data source
Grade
electronic grade expand Show data source
Total Acid
<2 × 10-3 mol/kg expand Show data source
Total Base
<2 × 10-3 mol/kg expand Show data source
Linear Formula
(C6H5)2IC6H4(SO3)CH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 530980 external link
Application
Cationic photoinitiator. Photoacid generator.
Packaging
1 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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