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594-44-5 molecular structure
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594-44-5 molecular structure
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ethanesulfonyl chloride

ChemBase ID: 104980
Molecular Formular: C2H5ClO2S
Molecular Mass: 128.5779
Monoisotopic Mass: 127.96987808
SMILES and InChIs

SMILES:
 CCS(=O)(=O)Cl
Canonical SMILES:
 CCS(=O)(=O)Cl
InChI:
 InChI=1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3
InChIKey:
 FRYHCSODNHYDPU-UHFFFAOYSA-N

Cite this record

CBID:104980 http://www.chembase.cn/molecule-104980.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethanesulfonyl chloride
IUPAC Traditional name
ethanesulfonyl chloride
Synonyms
Ethanesulfonyl chloride
Ethylsulfonyl chloride
ETHANESULFONYL CHLORIDE
ETHANESULFONYL CHLORIDE PRACTICAL GRADE
乙基磺酰氯
CAS Number
594-44-5
EC Number
209-842-5
MDL Number
MFCD00007460
Beilstein Number
773865
PubChem SID
24845278
162091748
24870741
PubChem CID
11667

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 471542 external link Add to cart 02420 external link Add to cart
MP Biomedicals 02157953 external link Add to cart 05206740 external link Add to cart
Alfa Aesar B23723 external link Add to cart
PubChem 11667 external link
Data Source Data ID Price
Sigma Aldrich
471542 external link Add to cart Please log in.
02420 external link Add to cart Please log in.
MP Biomedicals
02157953 external link Add to cart Please log in.
05206740 external link Add to cart Please log in.
Alfa Aesar
B23723 external link Add to cart Please log in.
Data Source Data ID
PubChem 11667 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors 2  H Donor 0 
LogD (pH = 5.5) 0.31401992  LogD (pH = 7.4) 0.31401992 
Log P 0.31401992  Molar Refractivity 24.9756 cm3
Polarizability 10.650864 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds 1  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-70°C expand Show data source
Boiling Point
176-178°C expand Show data source
177 °C(lit.) expand Show data source
177°C expand Show data source
Flash Point
181.4 °F expand Show data source
83 °C expand Show data source
83°C(181°F) expand Show data source
Density
1.350 expand Show data source
1.357 g/ml expand Show data source
1.357 g/mL at 25 °C(lit.) expand Show data source
1.36 g/ml expand Show data source
Refractive Index
1.4540 expand Show data source
n20/D 1.452(lit.) expand Show data source
n20/D 1.453 expand Show data source
Storage Condition
Room Temperature (15-30°C), Desiccate expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
RTECS
KI8050000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Toxic Toxic (T) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
2927 expand Show data source
UN2927 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
21/22-23-34 expand Show data source
22-23/24-34 expand Show data source
R:22-34 expand Show data source
R:36 expand Show data source
Safety Statements
26-27-36/37/39-45 expand Show data source
26-36/37/39-45 expand Show data source
S:26 expand Show data source
S:26-27/28-36/37/39-46-64 expand Show data source
TSCA Listed
是 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H310-H330-H314-H318-H227 expand Show data source
H302-H310-H314-H330 expand Show data source
GHS Precautionary statements
P210-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A expand Show data source
P260-P280-P284-P302 + P350-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2927 6.1/PG 2 expand Show data source
Purity
≥98.0% (AT) expand Show data source
≥99% expand Show data source
98+% expand Show data source
Grade
PRACTICAL expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
CH3CH2SO2Cl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02157953 external link
1 ml = approx. 1.36 g
MP Biomedicals - 05206740 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 471542 external link
Packaging
100, 500 mL in glass bottle
Legal Information
Product of Arkema Inc.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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