3'-Fluoroacetophenone - CAS 455-36-7
Catalog: |
BB025924 |
Product Name: |
3'-Fluoroacetophenone |
CAS: |
455-36-7 |
Synonyms: |
Ethanone, 1-(3-fluorophenyl)-; Acetophenone, 3'-fluoro-; 1-(3-Fluorophenyl)ethan-1-one; 1-Acetyl-3-fluorobenzene; 3-Acetyl-1-fluorobenzene; 3-Fluorophenyl methyl ketone; m-Fluoroacetophenone; m-Fluorophenyl methyl ketone; Methyl 3-fluorophenyl ketone; NSC 88301 |
IUPAC Name: | 1-(3-fluorophenyl)ethanone |
Molecular Weight: | 138.14 |
Molecular Formula: | C8H7FO |
Canonical SMILES: | CC(=O)C1=CC(=CC=C1)F |
InChI: | InChI=1S/C8H7FO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3 |
InChI Key: | HCEKGPAHZCYRBZ-UHFFFAOYSA-N |
Boiling Point: | 86-87°C at 16 Torr |
Melting Point: | -3°C |
Purity: | 95% |
Density: | 1.103±0.06 g/cm3 |
Solubility: | Soluble in Water (Slightly) |
Appearance: | Clear Colorless to Yellow Liquid |
Storage: | Store at RT |
MDL: | MFCD00000338 |
LogP: | 2.02830 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): 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-112694392-A | TRPV3 inhibitor and preparation method thereof | 20201221 |
CN-112826812-A | Pharmaceutical composition for treating colon cancer and application thereof | 20201221 |
CN-111235127-A | Transaminase mutants and uses thereof | 20200429 |
CN-111235127-B | Transaminase mutants and uses thereof | 20200429 |
WO-2021097139-A1 | Chiral synthesis of a tertiary alcohol | 20191115 |
PMID | Publication Date | Title | Journal |
22162199 | 20120102 | Design, synthesis and biological evaluation of Trypanosoma brucei trypanothione synthetase inhibitors | ChemMedChem |
21578420 | 20091023 | N'-[(E)-1-(3-Fluoro-phen-yl)ethyl-idene]formohydrazide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 133 |
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: | 1.8 |
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