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60902-45-6 molecular structure
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nonyltriphenylphosphanium bromide

ChemBase ID: 301907
Molecular Formular: C27H34BrP
Molecular Mass: 469.436621
Monoisotopic Mass: 468.15814972
SMILES and InChIs

SMILES:
CCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Canonical SMILES:
CCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChI:
InChI=1S/C27H34P.BrH/c1-2-3-4-5-6-7-17-24-28(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27;/h8-16,18-23H,2-7,17,24H2,1H3;1H/q+1;/p-1
InChIKey:
NJXRQGKTLWXMID-UHFFFAOYSA-M

Cite this record

CBID:301907 http://www.chembase.cn/molecule-301907.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
nonyltriphenylphosphanium bromide
IUPAC Traditional name
nonyltriphenylphosphanium bromide
Synonyms
(1-Nonyl)triphenylphosphonium bromide
(1-壬基)三苯基溴化磷
CAS Number
60902-45-6
EC Number
262-521-1
MDL Number
MFCD00051875
Beilstein Number
4223018

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.174533  LogD (pH = 7.4) 8.174533 
Log P 8.174533  Molar Refractivity 124.0998 cm3
Polarizability 49.209816 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 11  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
63-65°C expand Show data source
Storage Warning
Hygroscopic 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
98+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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