2-Fluoropropionic acid - CAS 6087-13-4
Catalog: |
BB030844 |
Product Name: |
2-Fluoropropionic acid |
CAS: |
6087-13-4 |
Synonyms: |
2-fluoropropanoic acid |
IUPAC Name: | 2-fluoropropanoic acid |
Description: | 2-Fluoropropionic acid (CAS# 6087-13-4) is used in the medical field for diagnostic purposes. It is labelled with 18F and is used as an imaging agent for detecting prostate cancer in humans. 2-Fluoropropionic acid is also used to prepare 2-fluoro fatty acids, compounds that exhibit antifungal properties. |
Molecular Weight: | 92.07 |
Molecular Formula: | C3H5FO2 |
Canonical SMILES: | CC(C(=O)O)F |
InChI: | InChI=1S/C3H5FO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6) |
InChI Key: | ZVZPFTCEXIGSHM-UHFFFAOYSA-N |
Boiling Point: | 66-67 °C |
Density: | 1.214 g/cm3 |
MDL: | MFCD06247714 |
LogP: | 0.42900 |
GHS Hazard Statement: | H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021209383-A1 | Herbicidal compounds | 20200417 |
WO-2021201196-A1 | Film-forming composition | 20200331 |
CN-111253454-A | Preparation method of anti-hepatitis C drug sofosbuvir | 20200319 |
CN-111362989-A | Preparation method of Sofosbuvir key intermediate | 20200319 |
WO-2021083380-A1 | Eed inhibitor, and preparation method therefor and use thereof | 20191101 |
PMID | Publication Date | Title | Journal |
21544226 | 20110101 | F-Labeled GRPR Agonists and Antagonists: A Comparative Study in Prostate Cancer Imaging | Theranostics |
22211146 | 20110101 | PET Imaging of Integrin Positive Tumors Using F Labeled Knottin Peptides | Theranostics |
11456337 | 20010601 | 2-Halopropionic acid-induced cerebellar granule cell necrosis in the rat: in vivo and in vitro studies | Neurotoxicology |
Complexity: | 61.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 92.02735756 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 92.02735756 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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