4-Fluorobenzyl alcohol - CAS 459-56-3

Catalog:	BB026035
Product Name:	4-Fluorobenzyl alcohol
CAS:	459-56-3
Synonyms:	(4-fluorophenyl)methanol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	(4-fluorophenyl)methanol
Description:	4-Fluorobenzyl Alcohol has been used in the preparation of many compounds including amides.
Molecular Weight:	126.13
Molecular Formula:	C7H7FO
Canonical SMILES:	C1=CC(=CC=C1CO)F
InChI:	InChI=1S/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChI Key:	GEZMEIHVFSWOCA-UHFFFAOYSA-N
Boiling Point:	209 °C
Density:	1.15 g/cm³
Appearance:	Clear colorless to slightly yellow liquid
MDL:	MFCD00004651
LogP:	1.31800

Publication Number	Title	Priority Date
CN-113461510-A	Aromatic acid compound and preparation method thereof	20210804
CN-113480394-A	Green synthesis method of alkylene fluorene	20210705
CN-113354525-A	Method for preparing carbonyl compound by oxidizing alcohol	20210529
CN-113307740-A	Preparation method of 2-amino-4-fluorobenzoic acid	20210527
CN-113087673-A	Preparation method of alkyl/alkenyl substituted nitrogen-containing heterocyclic compound	20210407

PMID	Publication Date	Title	Journal
22169871	20111204	Three-component reaction discovery enabled by mass spectrometry of self-assembled monolayers	Nature chemistry
21790205	20111020	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
20724960	20100819	Synthesis and application of a 2-[(4-fluorophenyl)-sulfonyl]ethoxy carbonyl(Fsec) protected glycosyl donor in carbohydrate chemistry	Molecules (Basel, Switzerland)
20218711	20100401	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
12852455	20030424	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

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Related Functional Groups

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[1169993-37-6]
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Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
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[1183749-69-0]
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[927800-47-3]
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[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene

Oxygen Compounds

[544-62-7]
Batyl alcohol
[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[77987-49-6]
Z-Glycinol
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol

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

Complexity:	77
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.048093005
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	126.048093005
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4