5,5,5-Trifluoropentanoic acid - CAS 407-62-5
Catalog: |
BB024655 |
Product Name: |
5,5,5-Trifluoropentanoic acid |
CAS: |
407-62-5 |
Synonyms: |
5,5,5-trifluoropentanoic acid; 5,5,5-trifluoropentanoic acid |
IUPAC Name: | 5,5,5-trifluoropentanoic acid |
Description: | 5,5,5-Trifluoropentanoic acid (CAS# 407-62-5) is used in the fluorination of mammalian cell surfaces via the sialic acid biosynthetic pathway. It is also used to prepare paddlewheel copper fluorinated alkyl/aryl carboxylate complexes. |
Molecular Weight: | 156.10 |
Molecular Formula: | C5H7F3O2 |
Canonical SMILES: | C(CC(=O)O)CC(F)(F)F |
InChI: | InChI=1S/C5H7F3O2/c6-5(7,8)3-1-2-4(9)10/h1-3H2,(H,9,10) |
InChI Key: | RUEXKRNFAABHHU-UHFFFAOYSA-N |
Boiling Point: | 170.2 °C at 760 mmHg |
Melting Point: | 30-31 °C |
Purity: | 95 % |
Density: | 1.293 g/cm3 |
MDL: | MFCD02262192 |
LogP: | 1.80360 |
GHS Hazard Statement: | H314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021201196-A1 | Film-forming composition | 20200331 |
WO-2021151865-A1 | Modulators of the integrated stress response pathway | 20200128 |
WO-2021004842-A1 | Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife | 20190708 |
TW-202010740-A | MCL-1 inhibitors | 20180514 |
US-10703733-B2 | MCL-1 inhibitors | 20180514 |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.03981395 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.03981395 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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