4-Fluorosalicylic acid - CAS 345-29-9
Catalog: |
BB022171 |
Product Name: |
4-Fluorosalicylic acid |
CAS: |
345-29-9 |
Synonyms: |
4-fluoro-2-hydroxybenzoic acid |
IUPAC Name: | 4-fluoro-2-hydroxybenzoic acid |
Description: | 4-Fluorosalicylic acid (CAS# 345-29-9) is a useful research chemical. |
Molecular Weight: | 156.11 |
Molecular Formula: | C7H5FO3 |
Canonical SMILES: | C1=CC(=C(C=C1F)O)C(=O)O |
InChI: | InChI=1S/C7H5FO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11) |
InChI Key: | TTZOLDXHOCCNMF-UHFFFAOYSA-N |
Boiling Point: | 300.5 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.492 g/cm3 |
Appearance: | White to tan powder |
MDL: | MFCD00153168 |
LogP: | 1.22950 |
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 |
Publication Number | Title | Priority Date |
WO-2021209486-A1 | Specifically substituted pyrroline-2-ones and their use as herbicides | 20200415 |
WO-2021204884-A1 | 3-(4-alkenyl-phenyl)-3-pyrrolin-2-ones and their use as herbicides | 20200409 |
WO-2021204589-A1 | Substituted thiazolopyridines, salts thereof and their use as herbicidally active substances | 20200407 |
WO-2021204665-A1 | Substituted isophthalic acid diamides | 20200407 |
WO-2021204666-A1 | Substituted isophthalic acid diamides and their use as herbicides | 20200407 |
PMID | Publication Date | Title | Journal |
21189019 | 20110127 | Identifying chelators for metalloprotein inhibitors using a fragment-based approach | Journal of medicinal chemistry |
16332130 | 20051214 | Salicylate activity. 3. Structure relationship to systemic acquired resistance | Journal of agricultural and food chemistry |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.02227218 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.02227218 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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