4-Fluorobenzyl alcohol - CAS 459-56-3

Name: 4-Fluorobenzyl alcohol
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

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Related Functional Groups

Alcohols and Derivatives

[77987-49-6]C10H13NO3
Z-Glycinol
[62972-93-4]C18H36O
(Z)-11-Octadecen-1-ol
[112256-09-4]C8H12O
1-Cyclopentyl-2-propyn-1-ol
[18621-17-5]C16H17NO
1-Benzhydrylazetan-3-ol
[5272-36-6]C6H12OSi
3-(Trimethylsilyl)propargyl alcohol
[155310-11-5]C3H7F2NO
3-Amino-2,2-difluoro-1-propanol

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[2091593-59-6]C9H10F3NO
3-methoxy-6-methyl-2-(trifluoromethyl)aniline

Other Pyrimidines

[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene
[860790-29-0]C11H15F3N4
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine

Oxygen Compounds

[134769-80-5]C11H16O2
3-Methylphenylacetaldehyde dimethyl acetal
[52378-69-5]C13H19O3P
Diethyl trans-cinnamylphosphonate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

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-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

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