Ethyl Ethanesulfonate - CAS 1912-30-7
Catalog: |
BB055997 |
Product Name: |
Ethyl Ethanesulfonate |
CAS: |
1912-30-7 |
Synonyms: |
Ethanesulfonic Acid Ethyl Ester; Ethylethane Sulfonate: |
IUPAC Name: | ethyl ethanesulfonate |
Description: | Ethyl Ethanesulfonate is used as a reactant in stereoselective Friedel-Crafts alkylation reactions. Also used in the preparation of 1-alkyl-3-methylimidazolium alkanesulfonate ionic liquids. |
Molecular Weight: | 138.19 |
Molecular Formula: | C4H10O3S |
Canonical SMILES: | CCOS(=O)(=O)CC |
InChI: | InChI=1S/C4H10O3S/c1-3-7-8(5,6)4-2/h3-4H2,1-2H3 |
InChI Key: | PPCXFTKZPBHXIW-UHFFFAOYSA-N |
Melting Point: | No data available |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Colourless Oil |
Storage: | 4°C |
References: | Stadler, D., Bach, T. Chem. Asian J., 3, 272 (2008); Blesic, M., et al. Phys. Chem. Chem. Phys., 11, 8939 (2009). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
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Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.03506535 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.03506535 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 51.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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