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20277-69-4 molecular structure
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sodium methanesulfinate

ChemBase ID: 8569
Molecular Formular: CH3NaO2S
Molecular Mass: 102.08809
Monoisotopic Mass: 101.97514462
SMILES and InChIs

SMILES:
CS(=O)[O-].[Na+]
Canonical SMILES:
[O-]S(=O)C.[Na+]
InChI:
InChI=1S/CH4O2S.Na/c1-4(2)3;/h1H3,(H,2,3);/q;+1/p-1
InChIKey:
LYPGDCWPTHTUDO-UHFFFAOYSA-M

Cite this record

CBID:8569 http://www.chembase.cn/molecule-8569.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium methanesulfinate
IUPAC Traditional name
sodium methanesulfinate
Synonyms
Methanesulphinic acid, sodium salt
Sodium methanesulphinate
Sodium methanesulfinate
Methanesulfinic acid sodium salt
Methanesulfinic acid, sodium salt
Methanesulfinic acid sodium salt
Sodium methanesulfinate
甲磺酸钠
甲烷亚磺酸 钠盐
甲烷亚磺酸钠
CAS Number
20277-69-4
EC Number
243-669-6
MDL Number
MFCD00040392
Beilstein Number
3565430
PubChem SID
24867119
160971876
PubChem CID
2733271

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.0  H Acceptors
H Donor LogD (pH = 5.5) -2.9652312 
LogD (pH = 7.4) -2.9892845  Log P -0.7258 
Molar Refractivity 14.5873 cm3 Polarizability 6.6273723 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
222-226 °C (dec.)(lit.) expand Show data source
222-226(dec.)°C expand Show data source
223-225°C expand Show data source
227-230°C expand Show data source
Storage Warning
Air Sensitive & Hygroscopic expand Show data source
Harmful/Air Sensitive/Hygroscopic/Store under Argon expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) 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
Risk Statements
22 expand Show data source
Safety Statements
36 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
GHS Precautionary statements
P280F expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
85% expand Show data source
90% expand Show data source
95% expand Show data source
Grade
technical grade expand Show data source
Linear Formula
CH3SO2Na expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 433063 external link
Packaging
1, 10 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Nucleophilic reagent for preparation of alkyl methyl sulfones: J. Am. Chem. Soc., 75, 5582 (1953). Aryl methyl sulfones are formed by SNAr displacement of activated p-fluoroor p-chloro substituents from aryl aldehydes, ketones, nitriles or nitro compounds in DMSO: J. Org. Chem., 54, 4691 (1989). In the presence of CuI in DMF, displacement of non-activated iodoarenes occurs: Tetrahedron Lett., 36, 6239 (1995); see also: J. Org. Chem., 70, 2696 (2005). Under similar conditions, selective displacement of an aryl bromo substituent in the presence of an aryl fluoro can be effected.: J. Org. Chem., 70, 268 (2005). Arylboronic acids undergo displacement with the reagent under mild conditions in the presence of copper(II) acetate in DMF or DMSO; selective displacement of the boronate group from 3-bromobenzeneboronic acid is possible: Tetrahedron Lett., 45, 3233 (2004).
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PATENTS

PATENTS

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INTERNET

INTERNET

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