4-Quinolinecarboxylic acid - CAS 486-74-8

Catalog:	BB026577
Product Name:	4-Quinolinecarboxylic acid
CAS:	486-74-8
Synonyms:	quinoline-4-carboxylic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	quinoline-4-carboxylic acid
Description:	Quinoline-4-carboxylic Acid for small therapeutic agent compounds.
Molecular Weight:	173.17
Molecular Formula:	C10H7NO2
Canonical SMILES:	C1=CC=C2C(=C1)C(=CC=N2)C(=O)O
InChI:	InChI=1S/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)
InChI Key:	VQMSRUREDGBWKT-UHFFFAOYSA-N
Boiling Point:	348.7 °C at 760 mmHg
Density:	1.339 g/cm³
Appearance:	Cream-colored to light brown powder
MDL:	MFCD00006782
LogP:	1.93300

Publication Number	Title	Priority Date
AU-2021103674-A4	Preparation method of healthcare wine for dispelling cold and tonifying kidney	20210628
CN-113117613-A	Functional supramolecular aerogel, preparation method and application thereof	20210417
CN-112851694-A	Quinolinylbenzimidazole corrosion inhibitor and preparation method thereof	20210118
CN-111995575-A	Preparation method of quinoline amide compound	20200911
CN-112062760-A	NO donor quinoline derivative and preparation method and application thereof	20200903

PMID	Publication Date	Title	Journal
19572501	20090807	A simple and convenient copper-catalyzed tandem synthesis of quinoline-2-carboxylates at room temperature	The Journal of organic chemistry
19560931	20090715	Synthesis and biological evaluation of new 4-carboxyl quinoline derivatives as cyclooxygenase-2 inhibitors	Bioorganic & medicinal chemistry
21583338	20090704	catena-Poly[zinc(II)-μ-aqua-κO:O-bis-(μ-quinoline-4-carboxyl-ato-κO:O')]	Acta crystallographica. Section E, Structure reports online
19342100	20090501	Synthesis, characterization and crystal structure of novel mononuclear peroxotungsten(VI) complexes. Insulinomimetic activity of W(VI) and Nb(V) peroxo complexes	Journal of inorganic biochemistry
21581221	20081129	Tetra-aqua-hexa-kis(μ(2)-quinoline-4-carboxyl-ato)diyttrium(III) dihydrate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Quinoline/Isoquinoline

[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[203506-30-3]
2-Amino-6-methoxy-3-methylquinoline
[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[13676-02-3]
2-Chloro-6-methoxyquinoline
[36034-54-5]
4-Methoxyisoquinoline

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

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.047678466
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5