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10147-41-8 molecular structure
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octadecane-1-sulfonyl chloride

ChemBase ID: 301912
Molecular Formular: C18H37ClO2S
Molecular Mass: 353.00318
Monoisotopic Mass: 352.2202791
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCCS(=O)(=O)Cl
Canonical SMILES:
CCCCCCCCCCCCCCCCCCS(=O)(=O)Cl
InChI:
InChI=1S/C18H37ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3
InChIKey:
VDRWNKIQBYUKGD-UHFFFAOYSA-N

Cite this record

CBID:301912 http://www.chembase.cn/molecule-301912.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
octadecane-1-sulfonyl chloride
IUPAC Traditional name
octadecane-1-sulfonyl chloride
Synonyms
1-Octadecylsulfonyl chloride
1-Octadecanesulfonyl chloride
1-十八烷基磺酰氯 95%
CAS Number
10147-41-8
EC Number
233-417-3
MDL Number
MFCD00051521
Beilstein Number
1794152

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) 7.505072  LogD (pH = 7.4) 7.505072 
Log P 7.505072  Molar Refractivity 98.5146 cm3
Polarizability 39.933273 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds 17  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
56-60°C expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3261 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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