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38775-38-1 molecular structure
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hexadecane-1-sulfonyl chloride

ChemBase ID: 77571
Molecular Formular: C16H33ClO2S
Molecular Mass: 324.95002
Monoisotopic Mass: 324.18897898
SMILES and InChIs

SMILES:
S(=O)(=O)(CCCCCCCCCCCCCCCC)Cl
Canonical SMILES:
CCCCCCCCCCCCCCCCS(=O)(=O)Cl
InChI:
InChI=1S/C16H33ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3
InChIKey:
YOSVFFVBSPQTTP-UHFFFAOYSA-N

Cite this record

CBID:77571 http://www.chembase.cn/molecule-77571.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexadecane-1-sulfonyl chloride
IUPAC Traditional name
hexadecane-1-sulfonyl chloride
Synonyms
1-Hexadecanesulphonyl chloride 98+%
1-Hexadecanesulfonyl chloride
1-Hexadecylsulfonyl chloride
1-十六烷磺酰氯
1-十六烷磺酰氯 98%
CAS Number
38775-38-1
EC Number
254-123-1
MDL Number
MFCD00007459
Beilstein Number
1789245
PubChem SID
162042443
24895762
PubChem CID
96923

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 96923 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.615935  LogD (pH = 7.4) 6.615935 
Log P 6.615935  Molar Refractivity 89.3126 cm3
Polarizability 36.251717 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds 15  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
56-58 °C(lit.) expand Show data source
56-58°C expand Show data source
56-58°C expand Show data source
Storage Warning
Corrosive/Moisture Sensitive expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
UN3261 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
34 expand Show data source
34-36/37 expand Show data source
Safety Statements
20-26-36/37/39-45 expand Show data source
26-27-28-36/37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
H314-H335 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
P261-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3261 8/PG 2 expand Show data source
Purity
98% expand Show data source
Linear Formula
CH3(CH2)15SO2Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - H6762 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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