3-Chloro-5-fluorobenzyl Alcohol - CAS 79944-64-2

Catalog:	BB036433
Product Name:	3-Chloro-5-fluorobenzyl Alcohol
CAS:	79944-64-2
Synonyms:	(3-chloro-5-fluorophenyl)methanol; (3-chloro-5-fluorophenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(3-chloro-5-fluorophenyl)methanol
Description:	3-Chloro-5-fluorobenzyl Alcohol (CAS# 79944-64-2) is a useful research chemical.
Molecular Weight:	160.57
Molecular Formula:	C7H6ClFO
Canonical SMILES:	C1=C(C=C(C=C1F)Cl)CO
InChI:	InChI=1S/C7H6ClFO/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2
InChI Key:	VJTJBAMDTCIMOB-UHFFFAOYSA-N
Boiling Point:	224.3 °C at 760 mmHg
Density:	1.344 g/cm³
MDL:	MFCD03788554
LogP:	1.97140

Publication Number	Title	Priority Date
WO-2020247804-A1	Heterocycle substituted pyridine derivative antifungal agents	20190607
AU-2018379077-A1	Heterocycle substituted pyridine derivative antifungal agents	20171207
WO-2019113542-A1	Heterocycle substituted pyridine derivative antifungal agents	20171207
BR-112020011162-A2	heterocycle-substituted pyridine-derived antifungal agents	20171207
CA-3084298-A1	Heterocycle substituted pyridine derivative antifungal agents	20171207

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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 (40%): 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:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.0091207
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	160.0091207
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8