2-Fluorophenethyl alcohol - CAS 50919-06-7

Catalog:	BB027270
Product Name:	2-Fluorophenethyl alcohol
CAS:	50919-06-7
Synonyms:	2-(2-fluorophenyl)ethanol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-(2-fluorophenyl)ethanol
Description:	2-Fluorophenethyl alcohol (CAS# 50919-06-7) is a useful synthetic intermediate. It is used to prepare phenethyl ester derivative analogs of the C-terminal tetrapeptide of gastrin as potent gastrin antagonists.
Molecular Weight:	140.15
Molecular Formula:	C8H9FO
Canonical SMILES:	C1=CC=C(C(=C1)CCO)F
InChI:	InChI=1S/C8H9FO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
InChI Key:	HNIGZVZDWCTFPR-UHFFFAOYSA-N
Boiling Point:	207.8 °C
Purity:	> 95.0 % (GC)
Density:	1.045 g/cm³
Appearance:	Clear colorless liquid
MDL:	MFCD00002887
LogP:	1.36050

Publication Number	Title	Priority Date
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021065898-A1	Azepan derivative	20190930
WO-2021041671-A1	Kras g12d inhibitors	20190829
WO-2020247804-A1	Heterocycle substituted pyridine derivative antifungal agents	20190607

PMID	Publication Date	Title	Journal
21090856	20101121	Water binding sites in 2-para- and 2-ortho-fluorophenylethanol: a high-resolution UV experiment and ab initio calculations	The Journal of chemical physics
20843004	20101028	Mass-analyzed threshold ionization spectroscopy of ortho fluorinated 2-phenylethanol: identification of an additional gauche conformer	The journal of physical chemistry. A
19173515	20090121	Competition between pi and sigma hydrogen bonds and conformational probing of 2-orthofluorophenylethanol by low-and high-resolution electronic spectroscopy	The Journal of chemical physics

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Related Functional Groups

Alcohols and Derivatives

[108100-06-7]
(S)-1-(2-Methoxyphenyl)ethanol
[18621-17-5]
1-Benzhydrylazetan-3-ol
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[6712-35-2]
2-Phenyl-4-pentyn-2-ol
[5272-36-6]
3-(Trimethylsilyl)propargyl alcohol
[2892-51-5]
3,4-Dihydroxy-3-cyclobutene-1,2-dione

Fluorinated Building Blocks

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

Other Pyrimidines

[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[1489-53-8]
1,2,3-Trifluorobenzene

Oxygen Compounds

[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

GHS Hazard Statement:	H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	95.3
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:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6