4-(4-Pyridyl)benzoic Acid - CAS 4385-76-6

Catalog:	BB025486
Product Name:	4-(4-Pyridyl)benzoic Acid
CAS:	4385-76-6
Synonyms:	4-pyridin-4-ylbenzoic acid; 4-pyridin-4-ylbenzoic acid

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Computed Properties

IUPAC Name:	4-pyridin-4-ylbenzoic acid
Description:	4-(4-Pyridyl)benzoic Acid (CAS# 4385-76-6) is a useful research chemical.
Molecular Weight:	199.21
Molecular Formula:	C12H9NO2
Canonical SMILES:	C1=CC(=CC=C1C2=CC=NC=C2)C(=O)O
InChI:	InChI=1S/C12H9NO2/c14-12(15)11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-8H,(H,14,15)
InChI Key:	DZLGZIGLHCRIMF-UHFFFAOYSA-N
LogP:	2.44680

Publication Number	Title	Priority Date
CN-113413770-A	Preparation method and application of MOFs-PSU iodine load membrane	20210705
CN-112604659-A	Chiral ligand exchange type COF @ MOF/L composite material and preparation method thereof	20201127
CN-112604714-A	COF @ MOF/M/L composite material and preparation method thereof	20201127
CN-112604715-A	Ion exchange type COF @ MOF/M composite material and preparation method thereof	20201127
CN-213266353-U	Preparation facilities of metal organic frame based on freeze-drying technique	20200831

PMID	Publication Date	Title	Journal
22392605	20120414	A new class of thermo- and solvatochromic metal-organic frameworks based on 4-(pyridin-4-yl)benzoic acid	Dalton transactions (Cambridge, England : 2003)
22273680	20120124	Geometry analysis and systematic synthesis of highly porous isoreticular frameworks with a unique topology	Nature communications
21732611	20110801	Synthesis, structures, and magnetism of copper(II) and manganese(II) coordination polymers with azide and pyridylbenzoates	Inorganic chemistry
21611990	20110704	A new approach to construct a doubly interpenetrated microporous metal-organic framework of primitive cubic net for highly selective sorption of small hydrocarbon molecules	Chemistry (Weinheim an der Bergstrasse, Germany)
20545316	20100719	A unique cobalt(II)-based molecular magnet constructed of hydroxyl/carboxylate bridges with a 3D pillared-layer motif	Inorganic chemistry

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Related Functional Groups

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[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[942206-23-7]
2,5-Dichloro-3-iodopyridine
[63585-69-3]
2-Methyl-3-nitropyridine Hydrochloride
[643762-61-2]
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[144584-32-7]
3-Bromo-2,4-dichloropyridine

GHS Hazard Statement:	H315 (88.89%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.063328530
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.063328530
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2