5-Chlorosalicylic acid - CAS 321-14-2
Catalog: |
BB021174 |
Product Name: |
5-Chlorosalicylic acid |
CAS: |
321-14-2 |
Synonyms: |
5-chloro-2-hydroxybenzoic acid |
IUPAC Name: | 5-chloro-2-hydroxybenzoic acid |
Description: | 5-Chlorosalicylic acid (CAS# 321-14-2) is a building block used for the manufacture of various pharmaceutical and biologically active compounds. It is used foe the synthesis of N-aryl-salicylamide derivatives as antitumor agents. |
Molecular Weight: | 172.57 |
Molecular Formula: | C7H5ClO3 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)C(=O)O)O |
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 |
Boiling Point: | 320.5 °C at 760 mmHg |
Melting Point: | 171-176 °C |
Purity: | 98 % |
Density: | 1.536 g/cm3 |
Appearance: | Crystals |
Storage: | Store in a cool, dry place. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed. |
MDL: | MFCD00002457 |
LogP: | 1.74380 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-11045434-B1 | Niclosamide formulations for treating disease | 20200401 |
US-10980756-B1 | Methods of treatment | 20200316 |
WO-2021086567-A1 | Compounds and methods for potentiating colistin activity | 20191101 |
US-2021114973-A1 | Pharmaceutical formulations | 20191018 |
WO-2021076922-A1 | Pharmaceutical formulations | 20191018 |
PMID | Publication Date | Title | Journal |
22870509 | 20120921 | 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 |
22365879 | 20120401 | Antimicrobial activity of sulfonamides containing 5-chloro-2-hydroxybenzaldehyde and 5-chloro-2-hydroxybenzoic acid scaffold | European journal of medicinal chemistry |
22476141 | 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 |
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 |
21438674 | 20111001 | Fluorescence-based high-throughput screening assay for drug interactions with UGT1A6 | Assay and drug development technologies |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.9927217 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.9927217 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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