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1530-37-6 molecular structure
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[(4-methylphenyl)methyl]triphenylphosphanium chloride

ChemBase ID: 295247
Molecular Formular: C26H24ClP
Molecular Mass: 402.895521
Monoisotopic Mass: 402.13041508
SMILES and InChIs

SMILES:
Cc1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Canonical SMILES:
Cc1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChI:
InChI=1S/C26H24P.ClH/c1-22-17-19-23(20-18-22)21-27(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1
InChIKey:
AZHSDLYDKBEFLL-UHFFFAOYSA-M

Cite this record

CBID:295247 http://www.chembase.cn/molecule-295247.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(4-methylphenyl)methyl]triphenylphosphanium chloride
IUPAC Traditional name
[(4-methylphenyl)methyl]triphenylphosphanium chloride
Synonyms
(4-Methylbenzyl)triphenylphosphonium chloride
(4-甲基苄基)三苯基氯化磷鎓
CAS Number
1530-37-6
MDL Number
MFCD00031581
PubChem SID
180680778
PubChem CID
150925

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
A12447 external link Add to cart Please log in.
Data Source Data ID
PubChem 150925 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.849228  H Acceptors
H Donor LogD (pH = 5.5) 6.8656855 
LogD (pH = 7.4) 6.8656855  Log P 6.8656855 
Molar Refractivity 116.875 cm3 Polarizability 45.838974 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
260-262°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
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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