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623-81-4 molecular structure
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diethyl sulfite

ChemBase ID: 108598
Molecular Formular: C4H10O3S
Molecular Mass: 138.1854
Monoisotopic Mass: 138.03506518
SMILES and InChIs

SMILES:
CCOS(=O)OCC
Canonical SMILES:
CCOS(=O)OCC
InChI:
InChI=1S/C4H10O3S/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3
InChIKey:
NVJBFARDFTXOTO-UHFFFAOYSA-N

Cite this record

CBID:108598 http://www.chembase.cn/molecule-108598.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diethyl sulfite
IUPAC Traditional name
diethyl sulfite
Synonyms
Diethyl sulphite
Sulfurous acid, diethyl ester
Diethyl sulfite
DIETHYL SULFITE
亚硫酸二乙酯
CAS Number
623-81-4
EC Number
210-815-5
MDL Number
MFCD00009098
Beilstein Number
1701906
PubChem SID
162095525
24853552
PubChem CID
12197
Chemspider ID
11697
Wikipedia Title
Diethyl_sulfite

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6398804  LogD (pH = 7.4) 0.6398804 
Log P 0.6398804  Molar Refractivity 30.7897 cm3
Polarizability 13.17484 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Clear liquid expand Show data source
Boiling Point
158-160 °C(lit.) expand Show data source
158–160 °C expand Show data source
Flash Point
129.2 °F expand Show data source
54 °C expand Show data source
Density
1.077 g/mL at 25 °C(lit.) expand Show data source
1.88 g/cm3 expand Show data source
Refractive Index
n20/D 1.414(lit.) expand Show data source
RTECS
WT3511000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
10-36/37/38 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
S:20-25-26-37/39 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
RID/ADR
UN 1993 3/PG 3 expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(C2H5O)2SO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia
MP Biomedicals - 05208013 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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