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1017-88-5 molecular structure
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dimethyldiphenylphosphanium iodide

ChemBase ID: 137466
Molecular Formular: C14H16IP
Molecular Mass: 342.155071
Monoisotopic Mass: 342.00343514
SMILES and InChIs

SMILES:
C[P+](C)(c1ccccc1)c1ccccc1.[I-]
Canonical SMILES:
C[P+](c1ccccc1)(c1ccccc1)C.[I-]
InChI:
InChI=1S/C14H16P.HI/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h3-12H,1-2H3;1H/q+1;/p-1
InChIKey:
MGLUUYLPGOWCNW-UHFFFAOYSA-M

Cite this record

CBID:137466 http://www.chembase.cn/molecule-137466.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyldiphenylphosphanium iodide
IUPAC Traditional name
dimethyldiphenylphosphanium iodide
Synonyms
Dimethyldiphenylphosphonium iodide
二甲基二苯基碘化鏻
CAS Number
1017-88-5
MDL Number
MFCD00031576
Beilstein Number
3637544
PubChem SID
162231728
24861419
PubChem CID
11099938

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11099938 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 67.2468 cm3 Polarizability 26.6769 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 3.3849444 
LogD (pH = 7.4) 3.3849444  Log P 3.3849444 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
246-249 °C(lit.) expand Show data source
246-251 °C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (AT) expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Ignition Residue
≤2.0% expand Show data source
Linear Formula
(C6H5)2P(I)(CH3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 40200 external link
Other Notes
The corresponding di-ylide is a powerful reagent for the methylenation of carbonyl compounds1; Ylide and di-ylide are used as ligands for organometallic compounds2,3

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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