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3151-41-5 molecular structure
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tribenzylstannylium chloride

ChemBase ID: 303862
Molecular Formular: C21H21ClSn
Molecular Mass: 427.54544
Monoisotopic Mass: 428.03537235
SMILES and InChIs

SMILES:
c1ccc(cc1)C[Sn+](Cc1ccccc1)Cc1ccccc1.[Cl-]
Canonical SMILES:
c1ccc(cc1)C[Sn+](Cc1ccccc1)Cc1ccccc1.[Cl-]
InChI:
InChI=1S/3C7H7.ClH.Sn/c3*1-7-5-3-2-4-6-7;;/h3*2-6H,1H2;1H;/q;;;;+1/p-1
InChIKey:
PUFMEHZUXSPPAM-UHFFFAOYSA-M

Cite this record

CBID:303862 http://www.chembase.cn/molecule-303862.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tribenzylstannylium chloride
IUPAC Traditional name
tribenzylstannylium chloride
Synonyms
Tribenzyltin chloride
三苄基氯化锡
CAS Number
3151-41-5
MDL Number
MFCD00014431

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) 5.2363  LogD (pH = 7.4) 5.2363 
Log P 5.2363  Molar Refractivity 90.6327 cm3
Polarizability 39.939083 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Apperance
Powder expand Show data source
Melting Point
143°C expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
UN3146 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
25-36/37 expand Show data source
Safety Statements
20-26-36-45-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P321-P405-P501A expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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