4-Fluorobenzoic acid - CAS 456-22-4

Catalog:	BB025951
Product Name:	4-Fluorobenzoic acid
CAS:	456-22-4
Synonyms:	Benzoic acid, p-fluoro-; NSC 10321; p-Fluorobenzoic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-fluorobenzoic acid
Molecular Weight:	140.11
Molecular Formula:	C7H5FO2
Canonical SMILES:	C1=CC(=CC=C1C(=O)O)F
InChI:	InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChI Key:	BBYDXOIZLAWGSL-UHFFFAOYSA-N
Boiling Point:	253.7±13.0 °C at 760 mmHg
Melting Point:	182-185 °C
Purity:	>95%
Density:	1.319±0.06 g/cm3
Appearance:	White to light yellow crystal powder
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00002530
LogP:	1.52390
Vapor Pressure:	0.01 [mmHg]

Publication Number	Title	Priority Date
CN-113461510-A	Aromatic acid compound and preparation method thereof	20210804
CN-113200934-A	Compound containing benzomorpholone-biphenyl skeleton and preparation method and application thereof	20210518
CN-113185437-A	Preparation method of triphenyl sulfonium salt containing annular anion structure	20210409
CN-113049728-A	Method for simultaneously measuring sixteen perfluoroalkyl compounds in fish meat	20210311
CN-113121405-A	2-azabicyclo [3.2.0] compound, synthetic method and application	20210303

PMID	Publication Date	Title	Journal
22762865	20121001	Preclinical characterization of 18F-MAA, a novel PET surrogate of 99mTc-MAA	Nuclear medicine and biology
21878386	20120701	Toxicological evaluation of ammonium perfluorobutyrate in rats: twenty-eight-day and ninety-day oral gavage studies	Reproductive toxicology (Elmsford, N.Y.)
22101783	20120701	Isolation and characterization of a Rhodococcus strain able to degrade 2-fluorophenol	Applied microbiology and biotechnology
22483270	20120407	Synthesis and antibacterial activity against ralstonia solanacearum for novel hydrazone derivatives containing a pyridine moiety	Chemistry Central journal
22590014	20120401	2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluoro-benzoate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Fluorinated Building Blocks

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[1597-32-6]
2-Amino-6-fluoropyridine
[351-28-0]
3'-Fluoroacetanilide
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[246847-98-3]
2-Amino-5-chloro-3-fluoropyridine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.02735756
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.02735756
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1