4-Chlorosalicylic acid - CAS 5106-98-9
Catalog: |
BB027318 |
Product Name: |
4-Chlorosalicylic acid |
CAS: |
5106-98-9 |
Synonyms: |
4-chloro-2-hydroxybenzoic acid |
IUPAC Name: | 4-chloro-2-hydroxybenzoic acid |
Description: | 4-Chlorosalicylic acid (CAS# 5106-98-9) is a metabolite of the herbicide Benthiocarb. 4-Chlorosalicylic Acid shows antifungal activity. |
Molecular Weight: | 172.57 |
Molecular Formula: | C7H5ClO3 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)O)C(=O)O |
InChI: | InChI=1S/C7H5ClO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11) |
InChI Key: | LWXFCZXRFBUOOR-UHFFFAOYSA-N |
Boiling Point: | 321.1 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.536 g/cm3 |
Appearance: | Off-white to light beige powder |
MDL: | MFCD00002449 |
LogP: | 1.74380 |
GHS Hazard Statement: | H302 (12.77%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22347013 | 20120201 | 4-Chloro-2-hy-droxy-N-(4-methyl-phen-yl)benzamide | Acta crystallographica. Section E, Structure reports online |
21836855 | 20110701 | Aqua-bis-(4-chloro-2-hy-droxy-benzoato-κO)(1,10-phenanthroline-κN,N')zinc(II) | Acta crystallographica. Section E, Structure reports online |
21476569 | 20110511 | Neonicotinoid insecticides: oxidative stress in planta and metallo-oxidase inhibition | Journal of agricultural and food chemistry |
22452061 | 20110101 | [Our experience with management of inherited thrombophilia during pregnancy. Preliminary report] | Akusherstvo i ginekologiia |
22524136 | 20110101 | [Our experience with management of inherited thrombophilia during pregnancy: preliminary report] | Akusherstvo i ginekologiia |
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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