3'-Fluoro-4'-methoxyacetophenone - CAS 455-91-4
Catalog: |
BB025939 |
Product Name: |
3'-Fluoro-4'-methoxyacetophenone |
CAS: |
455-91-4 |
Synonyms: |
1-(3-fluoro-4-methoxyphenyl)ethanone |
IUPAC Name: | 1-(3-fluoro-4-methoxyphenyl)ethanone |
Description: | 3'-Fluoro-4'-methoxyacetophenone (CAS# 455-91-4) is used in the synthesis chalcones. |
Molecular Weight: | 168.16 |
Molecular Formula: | C9H9FO2 |
Canonical SMILES: | CC(=O)C1=CC(=C(C=C1)OC)F |
InChI: | InChI=1S/C9H9FO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3 |
InChI Key: | LQASUDVYVOFKNK-UHFFFAOYSA-N |
Boiling Point: | 148 °C (20 torr) |
Melting Point: | 92-94 °C |
Purity: | 98 % |
Density: | 1.127 g/cm3 |
Appearance: | White powder or crystals |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00026219 |
LogP: | 2.03690 |
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 |
WO-2021085321-A1 | Resin composition, resin sheet, cured film, method for manufacturing cured film, semiconductor device, organic el display device, and display device | 20191029 |
WO-2020146521-A2 | Rnai agents for inhibiting expression of hif-2 alpha (epas1), compositions thereof, and methods of use | 20190109 |
WO-2019219517-A1 | Substituted dihydropyrazolo pyrazine carboxamide derivatives | 20180517 |
AU-2019270142-A1 | Substituted dihydropyrazolo pyrazine carboxamide derivatives | 20180517 |
TW-202012408-A | Substituted dihydropyrazolopyridine carboxamide derivatives | 20180517 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05865769 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05865769 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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