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61652-81-1 molecular structure
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decane-1-sulfonyl chloride

ChemBase ID: 302028
Molecular Formular: C10H21ClO2S
Molecular Mass: 240.79054
Monoisotopic Mass: 240.09507859
SMILES and InChIs

SMILES:
CCCCCCCCCCS(=O)(=O)Cl
Canonical SMILES:
CCCCCCCCCCS(=O)(=O)Cl
InChI:
InChI=1S/C10H21ClO2S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3
InChIKey:
WCKKWABZCCKDTN-UHFFFAOYSA-N

Cite this record

CBID:302028 http://www.chembase.cn/molecule-302028.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
decane-1-sulfonyl chloride
IUPAC Traditional name
decane-1-sulfonyl chloride
Synonyms
1-Decylsulfonyl chloride
1-Decanesulfonyl chloride
1-癸烷磺酰氯
CAS Number
61652-81-1
MDL Number
MFCD00051746
Beilstein Number
1771852

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar L06642 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.948523  LogD (pH = 7.4) 3.948523 
Log P 3.948523  Molar Refractivity 61.7066 cm3
Polarizability 25.225548 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
30-34°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
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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