4'-Chloro-2'-hydroxyacetophenone - CAS 6921-66-0

Catalog:	BB033739
Product Name:	4'-Chloro-2'-hydroxyacetophenone
CAS:	6921-66-0
Synonyms:	1-(4-chloro-2-hydroxyphenyl)ethanone; 1-(4-chloro-2-hydroxyphenyl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(4-chloro-2-hydroxyphenyl)ethanone
Description:	4'-Chloro-2'-hydroxyacetophenone (CAS# 6921-66-0) is a useful research chemical.
Molecular Weight:	170.59
Molecular Formula:	C8H7ClO2
Canonical SMILES:	CC(=O)C1=C(C=C(C=C1)Cl)O
InChI:	InChI=1S/C8H7ClO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,1H3
InChI Key:	QCVSDCHNBNFJDQ-UHFFFAOYSA-N
Boiling Point:	120-122 °C / 10 mmHg
Density:	1.298 g/cm³
Appearance:	Solid
MDL:	MFCD00238557
LogP:	2.24820

Publication Number	Title	Priority Date
WO-2020223536-A1	Substituted cyclolakyls as modulators of the integrated stress pathway	20190430
TW-202106671-A	Modulators of the integrated stress pathway	20190430
WO-2020132603-A2	Salicyl-adenosinemonosulfamate analogs and uses thereof	20181221
WO-2019062802-A1	ISOXAZOLINE DERIVATIVES AND USES THEREOF IN AN AGRICULTURAL APPLICATION	20170928
US-2019216820-A1	Antifungal composition	20170227

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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

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.0134572
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.0134572
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6