5-Fluorosalicylic acid - CAS 345-16-4

Name: 5-Fluorosalicylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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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

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[452-76-6]C7H6F2
2,4-Difluorotoluene
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[51516-70-2]C10H7FN4
5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile

Other Pyrimidines

[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene
[67490-21-5]C16H28N2
2,4,6-Tri-tert-butylpyrimidine
[932236-53-8]C12H9ClN4
3-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine
[2252403-82-8]C16H14ClFN4O2
7-Chloro-6-fluoro-1-(2-isopropyl-4-methylpyridin-3-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione

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
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

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