1-(2,6-Difluorophenyl)ethanol - CAS 87327-65-9
Catalog: |
BB038374 |
Product Name: |
1-(2,6-Difluorophenyl)ethanol |
CAS: |
87327-65-9 |
Synonyms: |
1-(2,6-difluorophenyl)ethanol; 1-(2,6-difluorophenyl)ethanol |
IUPAC Name: | 1-(2,6-difluorophenyl)ethanol |
Description: | 1-(2,6-Difluorophenyl)ethanol (CAS# 87327-65-9) is a useful building block in the synthesis of various pharmaceuticals. |
Molecular Weight: | 158.15 |
Molecular Formula: | C8H8F2O |
Canonical SMILES: | CC(C1=C(C=CC=C1F)F)O |
InChI: | InChI=1S/C8H8F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5,11H,1H3 |
InChI Key: | SIYWDKQSSDBLOA-UHFFFAOYSA-N |
Boiling Point: | 181 °C (lit.) |
Density: | 1.224 g/mL at 25°C(lit.) |
MDL: | MFCD00274321 |
LogP: | 2.01810 |
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-2020243027-A1 | Compounds, compositions, and methods of use | 20190524 |
EP-3551626-A1 | Benzenesulfonamide compounds and their use as therapeutic agents | 20161209 |
US-2018162868-A1 | Benzenesulfonamide compounds and their use as therapeutic agents | 20161209 |
WO-2018106284-A1 | Benzenesulfonamide compounds and their use as therapeutic agents | 20161209 |
US-2021171537-A1 | Benzenesulfonamide compounds and their use as therapeutic agents | 20161209 |
PMID | Publication Date | Title | Journal |
15499937 | 20040917 | Thermodynamic study on the gas chromatographic separation of the enantiomers of aromatic alcohols using heptakis(2,3-di-O-methyl-6-O-tert-butyldimethylsilyl)-beta-cyclodextrin as a stationary phase | Journal of chromatography. A |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.05432120 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.05432120 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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