2-Quinolinecarboxaldehyde - CAS 5470-96-2

Name: 2-Quinolinecarboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028792
Product Name:	2-Quinolinecarboxaldehyde
CAS:	5470-96-2
Synonyms:	quinoline-2-carbaldehyde

Technical Data

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Literatures

Computed Properties

IUPAC Name:	quinoline-2-carbaldehyde
Description:	2-Quinolinecarboxaldehyde was used to synthesize 3-(2-quinolyl)-1-phenyl-2-propenone and imine-type ligands.
Molecular Weight:	157.17
Molecular Formula:	C10H7NO
Canonical SMILES:	C1=CC=C2C(=C1)C=CC(=N2)C=O
InChI:	InChI=1S/C10H7NO/c12-7-9-6-5-8-3-1-2-4-10(8)11-9/h1-7H
InChI Key:	WPYJKGWLDJECQD-UHFFFAOYSA-N
Boiling Point:	314.3 °C at 760 mmHg
Purity:	97 %
Density:	1.223 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00075032
LogP:	2.04730

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[4313-03-5]C7H10O
2,4-Heptadienal

GHS Hazard Statement:	H315 (100%): 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

Publication Number	Title	Priority Date
WO-2021197519-A1	Compounds for inhibition of fibroblast activation protein	20200330
EP-3838891-A1	Aldimines and uses thereof	20191219
EP-3838957-A1	Polyimines and uses thereof	20191219
WO-2021122594-A1	Aldimines and uses thereof	20191219
WO-2021122595-A1	Polyimines and uses thereof	20191219

PMID	Publication Date	Title	Journal
22608675	20120801	Discovery of a new antileishmanial hit in 8-nitroquinoline series	European journal of medicinal chemistry
22000203	20120101	Combined experimental and theoretical studies on the vibrational spectra of 2-quinolinecarboxaldehyde	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
21989479	20111214	Aldimines generated from aza-Wittig reaction between bis(iminophosphoranes) derived from 1,1'-diazidoferrocene and aromatic or heteroaromatic aldehydes: electrochemical and optical behaviour towards metal cations	Dalton transactions (Cambridge, England : 2003)
22058739	20111001	Quinoline-2-carbaldehyde	Acta crystallographica. Section E, Structure reports online
21754716	20110601	4,4'-Methylenebis{N-[(E)-quinolin-2-yl-methylidene]aniline}	Acta crystallographica. Section E, Structure reports online

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.052763847
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	157.052763847
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1