3,5-Dichlorosalicylic acid - CAS 320-72-9
Catalog: |
BB021155 |
Product Name: |
3,5-Dichlorosalicylic acid |
CAS: |
320-72-9 |
Synonyms: |
3,5-dichloro-2-hydroxybenzoic acid |
IUPAC Name: | 3,5-dichloro-2-hydroxybenzoic acid |
Description: | 3,5-Dichlorosalicylic acid (CAS# 320-72-9) is a useful reagent for the preparation of substituted salicylanilides as inhibitors of two-component regulatory systems in bacteria. |
Molecular Weight: | 207.01 |
Molecular Formula: | C7H4Cl2O3 |
Canonical SMILES: | C1=C(C=C(C(=C1Cl)O)C(=O)O)Cl |
InChI: | InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12) |
InChI Key: | CNJGWCQEGROXEE-UHFFFAOYSA-N |
Boiling Point: | 319.3 °C at 760 mmHg |
Melting Point: | 221-224 °C |
Purity: | 97 % |
Density: | 1.665 g/cm3 |
Solubility: | Slightly sol in hot water; very sol in alcohol; sol in ether |
Appearance: | Cystals |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002442 |
LogP: | 2.39720 |
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 |
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PMID | Publication Date | Title | Journal |
22307316 | 20120707 | Spectral deciphering of the interaction between an intramolecular hydrogen bonded ESIPT drug, 3,5-dichlorosalicylic acid, and a model transport protein | Physical chemistry chemical physics : PCCP |
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 |
21050889 | 20110501 | Inhibitors of human 20α-hydroxysteroid dehydrogenase (AKR1C1) | The Journal of steroid biochemistry and molecular biology |
21243413 | 20110501 | On the photophysics of 3,5,6-Trichlorosalicylic acid: spectroscopic study combined with Hartree-Fock and Density Functional Theory calculations | Journal of fluorescence |
21414777 | 20110415 | Probing the inhibitor selectivity pocket of human 20α-hydroxysteroid dehydrogenase (AKR1C1) with X-ray crystallography and site-directed mutagenesis | Bioorganic & medicinal chemistry letters |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.9537494 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.9537494 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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