(S)-1-(2-Fluorophenyl)ethanol - CAS 171032-87-4
Catalog: |
BB012702 |
Product Name: |
(S)-1-(2-Fluorophenyl)ethanol |
CAS: |
171032-87-4 |
Synonyms: |
(1S)-1-(2-fluorophenyl)ethanol; (1S)-1-(2-fluorophenyl)ethanol |
IUPAC Name: | (1S)-1-(2-fluorophenyl)ethanol |
Description: | (S)-1-(2-Fluorophenyl)ethanol (CAS# 171032-87-4) is a building block used in organic synthesis such as JN403, a novel nicotinic acetylcholine receptor α7 agonist. |
Molecular Weight: | 140.15 |
Molecular Formula: | C8H9FO |
Canonical SMILES: | CC(C1=CC=CC=C1F)O |
InChI: | InChI=1S/C8H9FO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m0/s1 |
InChI Key: | SXFYVXSOEBCFLV-LURJTMIESA-N |
Boiling Point: | 193.1 ℃ at 760 mmHg |
Purity: | ≥ 98 %, ≥ 95 % e.e. |
Density: | 1.123 g/cm3 |
LogP: | 1.87900 |
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-110129382-B | Method for catalytic synthesis of chiral ortho-halogenated-alpha-phenylethyl alcohol by carbonyl reductase | 20190123 |
WO-2020144476-A1 | Manganese catalysts and their use in hydrogenation of ketones | 20190108 |
CN-113260623-A | Manganese catalysts and their use in the hydrogenation of ketones | 20190108 |
AU-2017371674-A1 | Benzenesulfonamide compounds and their use as therapeutic agents | 20161209 |
BR-112019011121-A2 | benzenesulfonamide compounds and their use as therapeutic agents | 20161209 |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.063743068 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.063743068 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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