5-Chlorosalicylamide - CAS 7120-43-6

Catalog:	BB034328
Product Name:	5-Chlorosalicylamide
CAS:	7120-43-6
Synonyms:	5-chloro-2-hydroxybenzamide; 5-chloro-2-hydroxybenzamide

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-2-hydroxybenzamide
Description:	5-Chlorosalicylamide (CAS# 7120-43-6) is a useful research chemical.
Molecular Weight:	171.58
Molecular Formula:	C7H6ClNO2
Canonical SMILES:	C1=CC(=C(C=C1Cl)C(=O)N)O
InChI:	InChI=1S/C7H6ClNO2/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3,10H,(H2,9,11)
InChI Key:	NNHMQZBVJPQCAK-UHFFFAOYSA-N
Boiling Point:	301.6 ℃ at 760 mmHg
Density:	1.447 g/cm³
MDL:	MFCD00007980
LogP:	1.84480

Publication Number	Title	Priority Date
CN-111116449-A	Novel tryptamine derivative and preparation method and application thereof	20191122
WO-2020252205-A1	Inhibitors of integrated stress response pathway	20190612
US-2021317102-A1	Inhibitors of integrated stress response pathway	20190612
KR-102017115-B1	Pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containing the same as an active ingredient	20180515
KR-20180056603-A	Pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containing the same as an active ingredient	20180515

PMID	Publication Date	Title	Journal
22154834	20120201	Structure-activity relationship of salicylic acid derivatives on inhibition of TNF-α dependent NFκB activity: Implication on anti-inflammatory effect of N-(5-chlorosalicyloyl)phenethylamine against experimental colitis	European journal of medicinal chemistry
21689976	20110901	Structural, vibrational and quantum chemical investigations on 5-chloro-2-hydroxybenzamide and 5-chloro-2-hydroxybenzoic acid	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
17410517	20070401	Gastroprotective effect and cytotoxicity of labdenamides	Planta medica

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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:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0087061
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	171.0087061
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4