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36626-29-6 molecular structure
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(2-carboxyethyl)triphenylphosphanium chloride

ChemBase ID: 163743
Molecular Formular: C21H20ClO2P
Molecular Mass: 370.809061
Monoisotopic Mass: 370.08894419
SMILES and InChIs

SMILES:
[P+](CCC(=O)O)(c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Canonical SMILES:
OC(=O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChI:
InChI=1S/C21H19O2P.ClH/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,16-17H2;1H
InChIKey:
GALLWJZTZYJVSL-UHFFFAOYSA-N

Cite this record

CBID:163743 http://www.chembase.cn/molecule-163743.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-carboxyethyl)triphenylphosphanium chloride
IUPAC Traditional name
(2-carboxyethyl)triphenylphosphanium chloride
Synonyms
(2-Carboxy-ethyl)-triphenyl-phosphonium Chloride
(2-Carboxyethyl)-triphenylphosphonium Chloride
(2-Carboxyethyl)triphenylphosphonium chloride
(2-羧乙基)三苯基氯化膦
CAS Number
36626-29-6
MDL Number
MFCD00185663
PubChem SID
162257878
PubChem CID
10270534

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10270534 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.8509989  H Acceptors
H Donor LogD (pH = 5.5) 2.68983 
LogD (pH = 7.4) 1.1045698  Log P 4.342787 
Molar Refractivity 98.0052 cm3 Polarizability 38.526382 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dimethyl Sulfoxide expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
197-201°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download 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
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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