2,2-Difluoro-2-(fluorosulfonyl)acetic acid - CAS 1717-59-5
Catalog: |
BB012768 |
Product Name: |
2,2-Difluoro-2-(fluorosulfonyl)acetic acid |
CAS: |
1717-59-5 |
Synonyms: |
2,2-difluoro-2-fluorosulfonylacetic acid |
IUPAC Name: | 2,2-difluoro-2-fluorosulfonylacetic acid |
Description: | An important reagent in the synthesis of difluorocarbenes and difluorocyclopropanes. |
Molecular Weight: | 178.09 |
Molecular Formula: | C2HF3O4S |
Canonical SMILES: | C(=O)(C(F)(F)S(=O)(=O)F)O |
InChI: | InChI=1S/C2HF3O4S/c3-2(4,1(6)7)10(5,8)9/h(H,6,7) |
InChI Key: | VYDQUABHDFWIIX-UHFFFAOYSA-N |
Boiling Point: | 153 °C |
Purity: | 98 % |
Density: | 1.723 g/cm3 |
MDL: | MFCD01320807 |
LogP: | 1.04390 |
GHS Hazard Statement: | H300 (85.11%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P260, P262, P264, P270, P280, P301+P310, P301+P330+P331, P302+P350, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P322, P330, P361, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2016243100-A1 | 4-Methylsulfonyl-Substituted Piperidine Urea Compounds | 20150122 |
US-2016176882-A1 | Triazolopyrimidine compounds and uses thereof | 20141223 |
US-2016168090-A1 | Novel indole derivatives and their use in neurodegenerative diseases | 20141215 |
US-2016075720-A1 | Mk2 inhibitors and uses thereof | 20140917 |
WO-2015181747-A1 | Novel pyrazolo pyrimidine derivatives and their use as malt1 inhibitors | 20140528 |
PMID | Publication Date | Title | Journal |
22612642 | 20120615 | Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate, a difluorocarbene reagent with reactivity comparable to that of trimethylsilyl 2,2-difluoro-2-(fluorosulfonyl)acetate (TFDA) | The Journal of organic chemistry |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.95476417 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.95476417 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 79.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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