Home Other Building Blocks 5-Chlorosalicylic acid

5-Chlorosalicylic acid

CAS No.:
321-14-2
Catalog Number:
AG0037DF
Molecular Formula:
C7H5ClO3
Molecular Weight:
172.5658
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
Product Description
Catalog Number:
AG0037DF
Chemical Name:
5-Chlorosalicylic acid
CAS Number:
321-14-2
Molecular Formula:
C7H5ClO3
Molecular Weight:
172.5658
MDL Number:
MFCD00002457
IUPAC Name:
5-chloro-2-hydroxybenzoic acid
InChI:
InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChI Key:
NKBASRXWGAGQDP-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)O)O
EC Number:
206-283-9
UNII:
J2YFG68VCZ
NSC Number:
30111
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.993g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.564g/mol
Monoisotopic Mass:
171.993g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Effect of biological confinement on the photophysics and dynamics of a proton-transfer phototautomer: an exploration of excitation and emission wavelength-dependent photophysics of the protein-bound drug. Physical chemistry chemical physics : PCCP 20120921
Antimicrobial activity of sulfonamides containing 5-chloro-2-hydroxybenzaldehyde and 5-chloro-2-hydroxybenzoic acid scaffold. European journal of medicinal chemistry 20120401
Two centrosymmetric dinuclear phenanthroline-copper(II) complexes with 3,5-dichloro-2-hydroxybenzoic acid and 5-chloro-2-hydroxybenzoic acid. Acta crystallographica. Section C, Crystal structure communications 20120401
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 20120201
Fluorescence-based high-throughput screening assay for drug interactions with UGT1A6. Assay and drug development technologies 20111001
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 20110901
SA-ABA antagonism in defense responses. Plant signaling & behavior 20101001
catena-Poly[[(1,10-phenanthroline)lead(II)]bis-(μ-5-chloro-2-hy-droxy-benzoato)]. Acta crystallographica. Section E, Structure reports online 20100801
Bismuth(III) complexes derived from non-steroidal anti-inflammatory drugs and their activity against Helicobacter pylori. Dalton transactions (Cambridge, England : 2003) 20100321
Deciphering the photophysics of 5-chlorosalicylic acid: evidence for excited-state intramolecular proton transfer. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20100101
Novel metal-binding site of Pseudomonas reinekei MT1 trans-dienelactone hydrolase. Biochemical and biophysical research communications 20091225
trans-Dienelactone hydrolase from Pseudomonas reinekei MT1, a novel zinc-dependent hydrolase. Biochemical and biophysical research communications 20081114
In vitro inhibition of salicylic acid derivatives on human cytosolic carbonic anhydrase isozymes I and II. Bioorganic & medicinal chemistry 20081015
Transport evaluation of salicylic acid and structurally related compounds across Caco-2 cell monolayers and artificial PAMPA membranes. European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V 20081001
Bis(5-chloro-salicylato-κO)bis-(1,10-phenanthroline-κN,N')cadmium(II). Acta crystallographica. Section E, Structure reports online 20080701
Salicylate activity. 1. Protection of plants from paraquat injury. Journal of agricultural and food chemistry 20051214
Salicylate activity. 3. Structure relationship to systemic acquired resistance. Journal of agricultural and food chemistry 20051214
Guest-controlling effects on ER behaviors of beta-cyclodextrin polymer. Journal of colloid and interface science 20050901
Predicting human serum albumin affinity of interleukin-8 (CXCL8) inhibitors by 3D-QSPR approach. Journal of medicinal chemistry 20050407
Anaerobic degradation and dehalogenation of chlorosalicylates and salicylate under four reducing conditions. Biodegradation 20010101
Properties