3-Fluoroanisole - CAS 456-49-5
Catalog: |
BB025959 |
Product Name: |
3-Fluoroanisole |
CAS: |
456-49-5 |
Synonyms: |
1-fluoro-3-methoxybenzene |
IUPAC Name: | 1-fluoro-3-methoxybenzene |
Description: | 3-Fluoroanisole (CAS# 456-49-5) is used in the preparation of tertiary benzylic nitriles. |
Molecular Weight: | 126.13 |
Molecular Formula: | C7H7FO |
Canonical SMILES: | COC1=CC(=CC=C1)F |
InChI: | InChI=1S/C7H7FO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3 |
InChI Key: | MFJNOXOAIFNSBX-UHFFFAOYSA-N |
Boiling Point: | 158 °C (743 mmHg) |
Density: | 1.104 g/cm3 |
MDL: | MFCD00000335 |
LogP: | 1.83430 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112341346-A | Synthetic method of oxitinib intermediate | 20201030 |
JP-2020143060-A | Non-aqueous electrolyte solution and non-aqueous electrolyte battery using it | 20200407 |
JP-6851527-B2 | Non-aqueous electrolyte solution and non-aqueous electrolyte battery using it | 20200407 |
JP-2021113188-A | Polycyclic aromatic compounds | 20200117 |
JP-2021113160-A | Polycyclic aromatic compounds | 20200116 |
PMID | Publication Date | Title | Journal |
21861463 | 20111013 | Primary amino acid derivatives: substitution of the 4'-N'-benzylamide site in (R)-N'-benzyl 2-amino-3-methylbutanamide, (R)-N'-benzyl 2-amino-3,3-dimethylbutanamide, and (R)-N'-benzyl 2-amino-3-methoxypropionamide provides potent anticonvulsants with pain-attenuating properties | Journal of medicinal chemistry |
20004043 | 20100301 | Synthesis, characterization and biological activity of some new 1,3,4-oxadiazole bearing 2-flouro-4-methoxy phenyl moiety | European journal of medicinal chemistry |
16841901 | 20060715 | Multiplexed rectilinear ion trap mass spectrometer for high-throughput analysis | Analytical chemistry |
Complexity: | 85 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.048093005 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.048093005 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Fluorinated Building Blocks
-
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
-
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
-
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
-
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
-
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
-
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
Other Pyrimidines
Oxygen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS