5-Fluorosalicylic acid - CAS 345-16-4

Catalog:	BB022160
Product Name:	5-Fluorosalicylic acid
CAS:	345-16-4
Synonyms:	5-fluoro-2-hydroxybenzoic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	5-fluoro-2-hydroxybenzoic acid
Description:	5-Fluorosalicylic acid (CAS# 345-16-4) is a useful research chemical.
Molecular Weight:	156.11
Molecular Formula:	C7H5FO3
Canonical SMILES:	C1=CC(=C(C=C1F)C(=O)O)O
InChI:	InChI=1S/C7H5FO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChI Key:	JWPRICQKUNODPZ-UHFFFAOYSA-N
Boiling Point:	307.4 °C at 760 mmHg
Melting Point:	177-182 °C
Purity:	95 %
Density:	1.492 g/cm³
Appearance:	White to off-white powder
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00002456
LogP:	1.22950

Publication Number	Title	Priority Date
CN-111875570-A	Synthetic method of fluorine-containing carboxylic acid flavone-amino acid derivative	20200731
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
US-2020368256-A1	Treatment for Bacterial Infections	20190523
WO-2020227097-A1	Kcnt1 inhibitors and methods of use	20190503
CN-111351938-A	Method for electrically exciting labeled molecules and electrode coated with insulating film	20181220

PMID	Publication Date	Title	Journal
21438674	20111001	Fluorescence-based high-throughput screening assay for drug interactions with UGT1A6	Assay and drug development technologies
21953105	20110701	Cα-C bond cleavage of the peptide backbone in MALDI in-source decay using salicylic acid derivative matrices	Journal of the American Society for Mass Spectrometry
21361542	20110227	Exploring single and double proton transfer processes in the gas phase: a high resolution electronic spectroscopy study of 5-fluorosalicylic acid	The Journal of chemical physics
21189019	20110127	Identifying chelators for metalloprotein inhibitors using a fragment-based approach	Journal of medicinal chemistry
21134605	20110101	Effect of fluorine position on the coordinating ability of fluorosalicylic acids--an experimental study complemented with computations	Journal of inorganic biochemistry

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Related Functional Groups

Carbonyl Compounds

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[151585-93-2]
2-Amino-6-fluorobenzaldehyde

Other Pyrimidines

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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

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:	2.6