4-Fluorosalicylic acid - CAS 345-29-9

Name: 4-Fluorosalicylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022171
Product Name:	4-Fluorosalicylic acid
CAS:	345-29-9
Synonyms:	4-fluoro-2-hydroxybenzoic acid

Technical Data

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Computed Properties

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

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[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
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Fluorinated Building Blocks

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid

Other Pyrimidines

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[452-76-6]C7H6F2
2,4-Difluorotoluene
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[551-62-2]C6H2F4
1,2,3,4-Tetrafluorobenzene

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