3-Fluoro-4-hydroxy-5-methoxybenzaldehyde - CAS 79418-78-3
Catalog: |
BB036343 |
Product Name: |
3-Fluoro-4-hydroxy-5-methoxybenzaldehyde |
CAS: |
79418-78-3 |
Synonyms: |
3-fluoro-4-hydroxy-5-methoxybenzaldehyde |
IUPAC Name: | 3-fluoro-4-hydroxy-5-methoxybenzaldehyde |
Description: | 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde (CAS# 79418-78-3) is a reagent in the synthesis of series of caffeic acid phenethyl amide (CAPA) fluorinated derivatives. |
Molecular Weight: | 170.14 |
Molecular Formula: | C8H7FO3 |
Canonical SMILES: | COC1=C(C(=CC(=C1)C=O)F)O |
InChI: | InChI=1S/C8H7FO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3 |
InChI Key: | OOGOFUKAJDPHDJ-UHFFFAOYSA-N |
Boiling Point: | 248.6 °C at 760 mmHg |
Melting Point: | 114-118 °C (lit.) |
Purity: | 95 % |
Density: | 1.331 g/cm3 |
Appearance: | White to light yellow crystal powder |
MDL: | MFCD02683560 |
LogP: | 1.35240 |
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 |
WO-2021143822-A1 | Bicyclic imide derivative, preparation method thereof, and application thereof in medicine | 20200116 |
KR-102092170-B1 | Photo-curable adhesive resin having enhanced fire-retardant and hydrophobic properties and photo-curable adhesive resin composition including the same | 20190926 |
WO-2020209933-A1 | Improved inhibitors of the notch transcriptional activation complex and methods for use of the same | 20190411 |
EP-3556755-A1 | Substituted aminothiazoles as inhibitors of nucleases | 20180417 |
WO-2019201865-A1 | Substituted aminothiazoles as inhibitors of nucleases | 20180417 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.03792224 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.03792224 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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