4-Fluoro-2-methoxybenzyl Bromide - CAS 886498-51-7
Catalog: |
BB039101 |
Product Name: |
4-Fluoro-2-methoxybenzyl Bromide |
CAS: |
886498-51-7 |
Synonyms: |
1-(bromomethyl)-4-fluoro-2-methoxybenzene; 1-(bromomethyl)-4-fluoro-2-methoxybenzene |
IUPAC Name: | 1-(bromomethyl)-4-fluoro-2-methoxybenzene |
Description: | 4-Fluoro-2-methoxybenzyl Bromide (CAS# 886498-51-7) is a reagent used in the acid catalyzed site selective oxidation of substituted phenols to quinols. |
Molecular Weight: | 219.05 |
Molecular Formula: | C8H8BrFO |
Canonical SMILES: | COC1=C(C=CC(=C1)F)CBr |
InChI: | InChI=1S/C8H8BrFO/c1-11-8-4-7(10)3-2-6(8)5-9/h2-4H,5H2,1H3 |
InChI Key: | RMNIOIWNIRMLQQ-UHFFFAOYSA-N |
Boiling Point: | 220.4 °C at 760 mmHg |
Density: | 1.488 g/cm3 |
LogP: | 2.72920 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2019201352-B2 | Bromodomain inhibitors | 20131018 |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.97426 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.97426 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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