4'-Fluoroacetophenone - CAS 403-42-9
Catalog: |
BB024461 |
Product Name: |
4'-Fluoroacetophenone |
CAS: |
403-42-9 |
Synonyms: |
Acetophenone, 4'-fluoro-; 1-(4-Fluorophenyl)ethan-1-one; 1-Acetyl-4-fluorobenzene; 4-Acetylfluorobenzene; 4-Acetylphenyl fluoride; 4-Flouroacetophenone; 4-Fluorophenyl methyl ketone; Methyl 4-fluorophenyl ketone; NSC 30635; p-Fluoroacetophenone; p-Fluorohypnone; p-Fluorophenyl methyl ketone |
IUPAC Name: | 1-(4-fluorophenyl)ethanone |
Molecular Weight: | 138.14 |
Molecular Formula: | C8H7FO |
Canonical SMILES: | CC(=O)C1=CC=C(C=C1)F |
InChI: | InChI=1S/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3 |
InChI Key: | ZDPAWHACYDRYIW-UHFFFAOYSA-N |
Boiling Point: | 196 °C |
Melting Point: | -45 °C |
Purity: | >95% |
Density: | 1.043 g/cm3 |
Appearance: | Clear colorless to slightly yellow liquid |
LogP: | 2.02830 |
Vapor Pressure: | 0.75 [mmHg] |
GHS Hazard Statement: | H315 (98.39%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (98.39%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (96.77%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113292552-A | Benzo five-membered ring aza derivative containing benzophenone group and preparation method and application thereof | 20210622 |
CN-113292475-A | Preparation method of bis-indole phenethylene compound | 20210617 |
CN-113072440-A | Amphiphilic fluorine-containing benzoyl formate photoinitiator suitable for LED photopolymerization and preparation method thereof | 20210419 |
CN-113214283-A | Preparation method of furan macrocyclic compound, prepared furan macrocyclic compound and application | 20210412 |
CN-112694392-A | TRPV3 inhibitor and preparation method thereof | 20201221 |
PMID | Publication Date | Title | Journal |
22412535 | 20120301 | (E)-3-(4-Chloro-phen-yl)-1-(4-fluoro-phenyl)-prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
21728015 | 20120201 | Biodegradation kinetics of 4-fluorocinnamic acid by a consortium of Arthrobacter and Ralstonia strains | Biodegradation |
22347020 | 20120201 | (E)-1-(2,4-Dinitro-phen-yl)-2-[1-(4-fluoro-phen-yl)ethyl-idene]hydrazine | Acta crystallographica. Section E, Structure reports online |
21939211 | 20111026 | Mechanistic studies of the lithium enolate of 4-fluoroacetophenone: rapid-injection NMR study of enolate formation, dynamics, and aldol reactivity | Journal of the American Chemical Society |
21754410 | 20110501 | (2E)-3-(3-Bromo-4-meth-oxy-phen-yl)-1-(4-fluoro-phen-yl)prop-2-en-1-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.048093005 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.048093005 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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