2',4'-Difluoro-2-hydroxyacetophenone - CAS 145240-42-2

Catalog:	BB009907
Product Name:	2',4'-Difluoro-2-hydroxyacetophenone
CAS:	145240-42-2
Synonyms:	1-(2,4-difluorophenyl)-2-hydroxyethanone; 1-(2,4-difluorophenyl)-2-hydroxyethanone

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-(2,4-difluorophenyl)-2-hydroxyethanone
Description:	2',4'-Difluoro-2-hydroxyacetophenone (CAS# 145240-42-2) is a useful research chemical.
Molecular Weight:	172.13
Molecular Formula:	C8H6F2O2
Canonical SMILES:	C1=CC(=C(C=C1F)F)C(=O)CO
InChI:	InChI=1S/C8H6F2O2/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,11H,4H2
InChI Key:	QTPAAEPVWGSHJB-UHFFFAOYSA-N
LogP:	1.13980

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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:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.03358575
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.03358575
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2