4-Fluorobenzoic acid - CAS 456-22-4
Catalog: |
BB025951 |
Product Name: |
4-Fluorobenzoic acid |
CAS: |
456-22-4 |
Synonyms: |
Benzoic acid, p-fluoro-; NSC 10321; p-Fluorobenzoic acid |
IUPAC Name: | 4-fluorobenzoic acid |
Molecular Weight: | 140.11 |
Molecular Formula: | C7H5FO2 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)O)F |
InChI: | InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) |
InChI Key: | BBYDXOIZLAWGSL-UHFFFAOYSA-N |
Boiling Point: | 253.7±13.0 °C at 760 mmHg |
Melting Point: | 182-185 °C |
Purity: | >95% |
Density: | 1.319±0.06 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002530 |
LogP: | 1.52390 |
Vapor Pressure: | 0.01 [mmHg] |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113461510-A | Aromatic acid compound and preparation method thereof | 20210804 |
CN-113200934-A | Compound containing benzomorpholone-biphenyl skeleton and preparation method and application thereof | 20210518 |
CN-113185437-A | Preparation method of triphenyl sulfonium salt containing annular anion structure | 20210409 |
CN-113049728-A | Method for simultaneously measuring sixteen perfluoroalkyl compounds in fish meat | 20210311 |
CN-113121405-A | 2-azabicyclo [3.2.0] compound, synthetic method and application | 20210303 |
PMID | Publication Date | Title | Journal |
22762865 | 20121001 | Preclinical characterization of 18F-MAA, a novel PET surrogate of 99mTc-MAA | Nuclear medicine and biology |
21878386 | 20120701 | Toxicological evaluation of ammonium perfluorobutyrate in rats: twenty-eight-day and ninety-day oral gavage studies | Reproductive toxicology (Elmsford, N.Y.) |
22101783 | 20120701 | Isolation and characterization of a Rhodococcus strain able to degrade 2-fluorophenol | Applied microbiology and biotechnology |
22483270 | 20120407 | Synthesis and antibacterial activity against ralstonia solanacearum for novel hydrazone derivatives containing a pyridine moiety | Chemistry Central journal |
22590014 | 20120401 | 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluoro-benzoate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.02735756 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.02735756 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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