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60254-10-6 molecular structure
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2-(diphenylphosphanyl)phenol

ChemBase ID: 143579
Molecular Formular: C18H15OP
Molecular Mass: 278.284861
Monoisotopic Mass: 278.08605173
SMILES and InChIs

SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1O
Canonical SMILES:
Oc1ccccc1P(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C18H15OP/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H
InChIKey:
HGHOYIFINVBZKO-UHFFFAOYSA-N

Cite this record

CBID:143579 http://www.chembase.cn/molecule-143579.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(diphenylphosphanyl)phenol
IUPAC Traditional name
2-(diphenylphosphanyl)phenol
Synonyms
(2-Diphenylphosphino)phenol
(o-Diphenylphosphino)phenol
(o-Hydroxyphenol)diphenylphosphine
(2-Hydroxyphenyl)diphenylphosphine
(2-二苯基膦基)苯酚
(邻二苯基膦基)苯酚
(邻羟基苯酚)二苯基膦
(2-羟基苯基)二苯基膦
CAS Number
60254-10-6
MDL Number
MFCD00015846
PubChem SID
162237797
PubChem CID
450336

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
723932 external link Add to cart Please log in.
Data Source Data ID
PubChem 450336 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.308372  H Acceptors
H Donor LogD (pH = 5.5) 4.8221326 
LogD (pH = 7.4) 4.8168836  Log P 4.8222 
Molar Refractivity 83.6038 cm3 Polarizability 32.887287 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
142-150 °C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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 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-H413 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C18H15OP expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 723932 external link
Packaging
1 g in glass bottle
Application
Catalyst for:
• Preparation of hydroxy(phosphinoxy)biphenyls1
• Formation of ethylene copolymers2
• Copolymerization of ethylene with linear olefins3
• Silylation of aryl halides4

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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