459-56-3 | 4-Fluorobenzyl alcohol

Packsize	Purity	Availability	Price	Discounted Price
5g	97%	in stock	$13.00	$9.00
25g	97%	in stock	$14.00	$10.00

Description

• Catalog Number: AB67531
• Chemical Name: 4-Fluorobenzyl alcohol
• CAS Number: 459-56-3
• Molecular Formula: C7H7FO
• Molecular Weight: 126.1283
• MDL Number: MFCD00004651
• SMILES: OCc1ccc(cc1)F
• NSC Number: 63347

Computed Properties

• Complexity: 77
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.4

Literature

• Three-component reaction discovery enabled by mass spectrometry of self-assembled monolayers.

  Nature chemistry 20120101

• Microwave and UV excitation spectra of 4-fluorobenzyl alcohol at high resolution. S0 and S1 structures and tunneling motions along the low frequency -CH2OH torsional coordinate in both electronic states.

  The journal of physical chemistry. A 20111020

• Synthesis and application of a 2-[(4-fluorophenyl)-sulfonyl]ethoxy carbonyl(Fsec) protected glycosyl donor in carbohydrate chemistry.

  Molecules (Basel, Switzerland) 20100819

• On the assessment of some new meta-hybrid and generalized gradient approximation functionals for calculations of anharmonic vibrational frequency shifts in hydrogen-bonded dimers.

  The journal of physical chemistry. A 20100401

• An NMR study of the metabolic fate of 2-, 3- and 4-fluorobenzyl alcohols in the rat: detection of N-acetylcysteinyl conjugates as minor metabolites in urine.

  Journal of pharmaceutical and biomedical analysis 20030424