Home > Compound List > Compound details
56771-29-0 molecular structure
click picture or here to close

pent-4-en-1-yltriphenylphosphanium bromide

ChemBase ID: 301899
Molecular Formular: C23H24BrP
Molecular Mass: 411.314421
Monoisotopic Mass: 410.0798994
SMILES and InChIs

SMILES:
C=CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Canonical SMILES:
C=CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChI:
InChI=1S/C23H24P.BrH/c1-2-3-13-20-24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h2,4-12,14-19H,1,3,13,20H2;1H/q+1;/p-1
InChIKey:
KANICXDUFCDRDS-UHFFFAOYSA-M

Cite this record

CBID:301899 http://www.chembase.cn/molecule-301899.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pent-4-en-1-yltriphenylphosphanium bromide
IUPAC Traditional name
pent-4-en-1-yltriphenylphosphanium bromide
Synonyms
(4-Pentenyl)triphenylphosphonium bromide
(4-戊烯基)三苯基溴化膦
CAS Number
56771-29-0
MDL Number
MFCD00050215
Beilstein Number
4171464

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar L01950 external link Add to cart
Data Source Data ID Price
Alfa Aesar
L01950 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.092271  LogD (pH = 7.4) 6.092271 
Log P 6.092271  Molar Refractivity 105.7399 cm3
Polarizability 41.593452 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
194-196°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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle