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62144-65-4 molecular structure
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({2-[(diphenylphosphanyl)methyl]phenyl}methyl)diphenylphosphane

ChemBase ID: 296011
Molecular Formular: C32H28P2
Molecular Mass: 474.512242
Monoisotopic Mass: 474.16662416
SMILES and InChIs

SMILES:
c1ccc(cc1)P(Cc1ccccc1CP(c1ccccc1)c1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(c(c1)CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C32H28P2/c1-5-17-29(18-6-1)33(30-19-7-2-8-20-30)25-27-15-13-14-16-28(27)26-34(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-24H,25-26H2
InChIKey:
BZDNMSNFLZXRLY-UHFFFAOYSA-N

Cite this record

CBID:296011 http://www.chembase.cn/molecule-296011.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
({2-[(diphenylphosphanyl)methyl]phenyl}methyl)diphenylphosphane
IUPAC Traditional name
({2-[(diphenylphosphanyl)methyl]phenyl}methyl)diphenylphosphane
Synonyms
alpha,alpha'-Bis(diphenylphosphino)-o-xylene
1,2-Bis(diphenylphosphinomethyl)benzene
1,2-双(联苯代磷甲基)苯
CAS Number
62144-65-4
MDL Number
MFCD00015429
PubChem SID
180681542
PubChem CID
4642097

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 4642097 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.7864  LogD (pH = 7.4) 8.7864 
Log P 8.7864  Molar Refractivity 146.661 cm3
Polarizability 58.00306 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
123-125°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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