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3411-48-1 molecular structure
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tris(naphthalen-1-yl)phosphane

ChemBase ID: 111664
Molecular Formular: C30H21P
Molecular Mass: 412.461501
Monoisotopic Mass: 412.1380873
SMILES and InChIs

SMILES:
c1cc2cccc(P(c3c4ccccc4ccc3)c3c4ccccc4ccc3)c2cc1
Canonical SMILES:
c1ccc2c(c1)c(ccc2)P(c1cccc2c1cccc2)c1cccc2c1cccc2
InChI:
InChI=1S/C30H21P/c1-4-16-25-22(10-1)13-7-19-28(25)31(29-20-8-14-23-11-2-5-17-26(23)29)30-21-9-15-24-12-3-6-18-27(24)30/h1-21H
InChIKey:
DMEUUKUNSVFYAA-UHFFFAOYSA-N

Cite this record

CBID:111664 http://www.chembase.cn/molecule-111664.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tris(naphthalen-1-yl)phosphane
IUPAC Traditional name
tris(naphthalen-1-yl)phosphane
Synonyms
Tris(1-naphthyl)phosphine
TRI-1-NAPHTHYLPHOSPHINE
P(1-nap)3
Tri-1-naphthylphosphine
Tri(1-naphthyl)phosphine
三(1-萘基)膦
CAS Number
3411-48-1
MDL Number
MFCD00046400
PubChem SID
162096860
24884894
PubChem CID
271443

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 271443 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.1132  LogD (pH = 7.4) 8.1132 
Log P 8.1132  Molar Refractivity 130.9735 cm3
Polarizability 55.29223 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)
Apperance
Powder expand Show data source
Melting Point
261-265 °C expand Show data source
265-268°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) 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
22 expand Show data source
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(C10H7)3P expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05220293 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 667218 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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