1-(2-Fluorophenyl)ethanol - CAS 445-26-1

Catalog:	BB025632
Product Name:	1-(2-Fluorophenyl)ethanol
CAS:	445-26-1
Synonyms:	1-(2-fluorophenyl)ethanol; 1-(2-fluorophenyl)ethanol

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Computed Properties

IUPAC Name:	1-(2-fluorophenyl)ethanol
Description:	1-(2-Fluorophenyl)ethanol (CAS# 445-26-1) is a compound useful in organic synthesis.
Molecular Weight:	140.15
Molecular Formula:	C8H9FO
Canonical SMILES:	CC(C1=CC=CC=C1F)O
InChI:	InChI=1S/C8H9FO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3
InChI Key:	SXFYVXSOEBCFLV-UHFFFAOYSA-N
Boiling Point:	193.1 °C at 760 mmHg
Density:	1.123 g/cm³
MDL:	MFCD00014401
LogP:	1.87900

Publication Number	Title	Priority Date
WO-2020247804-A1	Heterocycle substituted pyridine derivative antifungal agents	20190607
WO-2020144476-A1	Manganese catalysts and their use in hydrogenation of ketones	20190108
BR-112020011162-A2	heterocycle-substituted pyridine-derived antifungal agents	20171207
CA-3084298-A1	Heterocycle substituted pyridine derivative antifungal agents	20171207
CN-111698989-A	Heterocyclic substituted pyridine derivative antifungal agent	20171207

PMID	Publication Date	Title	Journal
21165517	20110314	Preparation of surface molecularly imprinted Ru-complex catalysts for asymmetric transfer hydrogenation in water media	Dalton transactions (Cambridge, England : 2003)

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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

Complexity:	105
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