Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid - CAS 68602-57-3
Catalog: |
BB033593 |
Product Name: |
Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid |
CAS: |
68602-57-3 |
Synonyms: |
trifluoromethylsulfonyl 2,2,2-trifluoroacetate |
IUPAC Name: | trifluoromethylsulfonyl 2,2,2-trifluoroacetate |
Description: | Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid (CAS# 68602-57-3) is a useful research chemical. |
Molecular Weight: | 246.09 |
Molecular Formula: | C3F6O4S |
Canonical SMILES: | C(=O)(C(F)(F)F)OS(=O)(=O)C(F)(F)F |
InChI: | InChI=1S/C3F6O4S/c4-2(5,6)1(10)13-14(11,12)3(7,8)9 |
InChI Key: | FWJGTOABGBFQNT-UHFFFAOYSA-N |
Boiling Point: | 62-63 °C (lit.) |
MDL: | MFCD00011638 |
LogP: | 2.02230 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
18670179 | 20080801 | [Selective synthesis of benzofurans and dihydrobenzofurans via efficient rearrangement as key reaction] | Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan |
14507187 | 20031002 | Efficient protocol for ring opening of spiroketals using trifluoroacetyl trifluoromethanesulfonate (TFAT) | Organic letters |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.94214862 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.94214862 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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