4,4,4-Trifluorobutyric acid - CAS 406-93-9
Catalog: |
BB024627 |
Product Name: |
4,4,4-Trifluorobutyric acid |
CAS: |
406-93-9 |
Synonyms: |
4,4,4-trifluorobutanoic acid |
IUPAC Name: | 4,4,4-trifluorobutanoic acid |
Description: | 4,4,4-Trifluorobutyric acid (CAS# 406-93-9) is a useful research chemical. |
Molecular Weight: | 142.08 |
Molecular Formula: | C4H5F3O2 |
Canonical SMILES: | C(CC(F)(F)F)C(=O)O |
InChI: | InChI=1S/C4H5F3O2/c5-4(6,7)2-1-3(8)9/h1-2H2,(H,8,9) |
InChI Key: | WTUCTMYLCMVYEX-UHFFFAOYSA-N |
Boiling Point: | 166 °C |
Melting Point: | 30 °C |
Purity: | 95 % |
Density: | 1.241 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00077604 |
LogP: | 1.41350 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112778089-A | New synthesis method of 4,4, 4-trifluoro-1-butanol and homologues thereof | 20210104 |
CN-112592621-A | Photo-curing printing ink and preparation method thereof | 20201230 |
WO-2021210317-A1 | Composite-type stacked chemically-crosslinked separator | 20200413 |
WO-2021210318-A1 | Composite single-layer chemically cross-linked separator | 20200413 |
WO-2021210590-A1 | Method for producing separator for power storage device | 20200413 |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.02416388 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.02416388 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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