4-Fluoro-α-methylbenzyl alcohol - CAS 403-41-8
Catalog: |
BB024460 |
Product Name: |
4-Fluoro-α-methylbenzyl alcohol |
CAS: |
403-41-8 |
Synonyms: |
1-(4-fluorophenyl)ethanol |
IUPAC Name: | 1-(4-fluorophenyl)ethanol |
Description: | 4-Fluoro-α-methylbenzyl alcohol (CAS# 403-41-8) is a useful research chemical. |
Molecular Weight: | 140.15 |
Molecular Formula: | C8H9FO |
Canonical SMILES: | CC(C1=CC=C(C=C1)F)O |
InChI: | InChI=1S/C8H9FO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3 |
InChI Key: | PSDSORRYQPTKSV-UHFFFAOYSA-N |
Boiling Point: | 90-92 °C (7 mmHg) |
Melting Point: | 9.3 °C |
Purity: | 98 % |
Density: | 1.109 g/cm3 |
Appearance: | Clear light yellow liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00004515 |
LogP: | 1.87900 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113354556-A | C3Chiral ligand H3L with symmetry amide bond, preparation method and application | 20210705 |
CN-111621031-A | Preparation method and application of mimic enzyme MOF-based chiral separation material | 20200628 |
CN-111298839-A | High-efficiency catalyst and method for catalyzing formic acid dehydrogenation and reduction reaction by using same | 20200220 |
CN-112876355-A | Method for preparing carboxylic ester compound by breaking carbon-carbon bond through oxidation of secondary alcohol compound | 20191129 |
WO-2021069927-A1 | Prostaglandin ep4 receptor antagonist compounds | 20191009 |
PMID | Publication Date | Title | Journal |
22510000 | 20120524 | A hybrid mechanism in chiral discrimination induced by crystallization of supramolecular compounds | The journal of physical chemistry. B |
21132202 | 20110121 | Chiral recognition between 1-(4-fluorophenyl)ethanol and 2-butanol: higher binding energy of homochiral complexes in the gas phase | Physical chemistry chemical physics : PCCP |
19405055 | 20090803 | Conformational landscape of supersonically expanded 1-(fluorophenyl)ethanols and their monohydrated clusters | Chemphyschem : a European journal of chemical physics and physical chemistry |
19305898 | 20090407 | Mass analysed threshold ionisation spectroscopy of flexible 2-para-fluorophenylethanol conformers with and without an intramolecular OH...pi bond | Physical chemistry chemical physics : PCCP |
14510542 | 20031003 | Mechanism of ruthenium-catalyzed hydrogen transfer reactions. Concerted transfer of OH and CH hydrogens from an alcohol to a (Cyclopentadienone)ruthenium complex | The Journal of organic chemistry |
Complexity: | 97.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
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 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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