2-Fluorobenzoic acid - CAS 445-29-4

Catalog:	BB025636
Product Name:	2-Fluorobenzoic acid
CAS:	445-29-4
Synonyms:	2-fluorobenzoic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-fluorobenzoic acid
Description:	2-Fluorobenzoic acid (CAS# 445-29-4) is a useful research chemical.
Molecular Weight:	140.11
Molecular Formula:	C7H5FO2
Canonical SMILES:	C1=CC=C(C(=C1)C(=O)O)F
InChI:	InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChI Key:	NSTREUWFTAOOKS-UHFFFAOYSA-N
Melting Point:	123-125 °C
Purity:	98 %
Density:	1.319 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:	MFCD00002405
LogP:	1.52390
Vapor Pressure:	0.05 [mmHg]

Publication Number	Title	Priority Date
WO-2021125412-A1	Defect-suppressed metal halide perovskite luminescent material, and light-emitting diode comprising same	20191216
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
WO-2021104416-A1	Compounds and methods for treating inflammatory bowel disease	20191129
WO-2021083380-A1	Eed inhibitor, and preparation method therefor and use thereof	20191101
WO-2021074363-A1	Amine co-initiator mixture	20191017

PMID	Publication Date	Title	Journal
22101783	20120701	Isolation and characterization of a Rhodococcus strain able to degrade 2-fluorophenol	Applied microbiology and biotechnology
22261270	20120315	Aggregation and adsorption behavior of low concentration aqueous solutions of hexadecyltrimethylammonium ortho, meta, and parafluorobenzoate	Journal of colloid and interface science
22239678	20120120	Titration of nonstabilized diazoalkane solutions by fluorine NMR	The Journal of organic chemistry
22259354	20120101	catena-Poly[[(diaqua-calcium)-bis-(μ-2-fluorobenzoato)-1':1κO:O,O';1:1''κO,O':O] 2,2'-bipyridine hemi-solvate]	Acta crystallographica. Section E, Structure reports online
22152033	20111207	A cobalt complex of a microbial arene oxidation product	Chemistry Central journal

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Related Functional Groups

Carbonyl Compounds

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[1170836-29-9]
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Other Pyrimidines

[452-76-6]
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[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[150517-77-4]
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[1489-53-8]
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[1160246-50-3]
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[113583-35-0]
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (20.41%): 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:	136
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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8