1-Fluoro-3,5-dimethoxybenzene - CAS 52189-63-6
Catalog: |
BB027733 |
Product Name: |
1-Fluoro-3,5-dimethoxybenzene |
CAS: |
52189-63-6 |
Synonyms: |
1-fluoro-3,5-dimethoxybenzene |
IUPAC Name: | 1-fluoro-3,5-dimethoxybenzene |
Description: | 1-Fluoro-3,5-dimethoxybenzene (CAS# 52189-63-6) is a useful research chemical used in the preparation of fluorinated fluoresceins and the synthesis of aryl fluorides. |
Molecular Weight: | 156.15 |
Molecular Formula: | C8H9FO2 |
Canonical SMILES: | COC1=CC(=CC(=C1)F)OC |
InChI: | InChI=1S/C8H9FO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,1-2H3 |
InChI Key: | IWFKMNAEFPEIOY-UHFFFAOYSA-N |
Boiling Point: | 88 °C (6 torr) |
Density: | 1.102 g/cm3 |
MDL: | MFCD00012445 |
LogP: | 1.84290 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113264837-A | Energetic ionic salt of 3, 5-dihydroxy-2, 4, 6-trinitrobenzene derivative and preparation method thereof | 20210528 |
CN-111153817-A | phenoxy-N-phenylaniline derivatives and application thereof | 20200120 |
CN-111153817-B | phenoxy-N-phenylaniline derivatives and application thereof | 20200120 |
JP-2021113188-A | Polycyclic aromatic compounds | 20200117 |
JP-2021113160-A | Polycyclic aromatic compounds | 20200116 |
PMID | Publication Date | Title | Journal |
17257842 | 20070315 | The role of fluorine substitution in the structure-activity relationships (SAR) of classical cannabinoids | Bioorganic & medicinal chemistry letters |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.05865769 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.05865769 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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