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106018-85-3 molecular structure
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2-(trimethylsilyl)ethane-1-sulfonyl chloride

ChemBase ID: 140827
Molecular Formular: C5H13ClO2SSi
Molecular Mass: 200.75902
Monoisotopic Mass: 200.00940487
SMILES and InChIs

SMILES:
C[Si](C)(C)CCS(=O)(=O)Cl
Canonical SMILES:
C[Si](CCS(=O)(=O)Cl)(C)C
InChI:
InChI=1S/C5H13ClO2SSi/c1-10(2,3)5-4-9(6,7)8/h4-5H2,1-3H3
InChIKey:
BLPMCIWDCRGIJV-UHFFFAOYSA-N

Cite this record

CBID:140827 http://www.chembase.cn/molecule-140827.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(trimethylsilyl)ethane-1-sulfonyl chloride
IUPAC Traditional name
2-(trimethylsilyl)ethanesulfonyl chloride
Synonyms
SES-Cl
2-Trimethylsilylethylsulfonyl chloride
2-(Trimethylsilyl)ethanesulfonyl chloride
2-三甲基硅基乙基磺酰氯
2-(三甲基硅基)乙烷磺酰氯
CAS Number
106018-85-3
MDL Number
MFCD09265153
PubChem SID
24885632
162235065
PubChem CID
9837086

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
681334 external link Add to cart Please log in.
Data Source Data ID
PubChem 9837086 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9307  LogD (pH = 7.4) 1.9307 
Log P 1.9307  Molar Refractivity 40.6576 cm3
Polarizability 19.025513 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)
Boiling Point
146.8 °C/760 mmHg expand Show data source
Flash Point
21 °C expand Show data source
69.8 °F expand Show data source
Density
1.059 g/mL at 25 °C expand Show data source
Refractive Index
n20/D 1.4444 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Linear Formula
(CH3)3SiCH2CH2SO2Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 681334 external link
Application
Reagent used for protection of an amino group as a SES-amide. The SES group can be conveniently removed by fluoride ion.6
Reactant involved in:
• Nucleophilic substitution for synthesis of nicotinamine and its analogs1
• Regioselective metal-free oxidative cyclization of sulfonamides2
• Annulation reactions3
• Tin-free radical carbonylation of alkylsulfonyl derivatives4
• Asymmetric aziridination5
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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