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6396-07-2 molecular structure
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diiodotriphenyl-λ5-phosphane

ChemBase ID: 148581
Molecular Formular: C18H15I2P
Molecular Mass: 516.094401
Monoisotopic Mass: 515.90008311
SMILES and InChIs

SMILES:
c1ccc(cc1)P(c1ccccc1)(c1ccccc1)(I)I
Canonical SMILES:
IP(c1ccccc1)(c1ccccc1)(c1ccccc1)I
InChI:
InChI=1S/C18H15I2P/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey:
NSWZEXJQHIXCFL-UHFFFAOYSA-N

Cite this record

CBID:148581 http://www.chembase.cn/molecule-148581.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diiodotriphenyl-λ5-phosphane
IUPAC Traditional name
diiodotriphenyl-λ5-phosphane
Synonyms
Diiodotriphenylphosphorane
Triphenylphosphine diiodide
二碘三苯基正膦
三苯基膦二碘化物
CAS Number
6396-07-2
MDL Number
MFCD00216568
Beilstein Number
2740417
PubChem SID
24889792
162242756
24866095
PubChem CID
201622

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 201622 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.9738  LogD (pH = 7.4) 6.9738 
Log P 6.9738  Molar Refractivity 108.3045 cm3
Polarizability 42.779224 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
210-220 °C(lit.) expand Show data source
RTECS
TB6100000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2923 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
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34-42/43-62 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314-H317-H334-H361 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2923 8/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥90% (AT) expand Show data source
90% expand Show data source
Grade
technical expand Show data source
technical grade expand Show data source
Linear Formula
(C6H5)3PI2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 419184 external link
Packaging
5 g in glass bottle
Sigma Aldrich - 93096 external link
Other Notes
Iodination reagent for alcohols1; Unsaturated iodo-ketones from β-diketones2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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