6-quinolinecarboxaldehyde - CAS 4113-04-6

Catalog:	BB024801
Product Name:	6-quinolinecarboxaldehyde
CAS:	4113-04-6
Synonyms:	6-quinolinecarboxaldehyde; quinoline-6-carbaldehyde

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	quinoline-6-carbaldehyde
Description:	6-quinolinecarboxaldehyde (CAS# 4113-04-6) is a useful research chemical.
Molecular Weight:	157.17
Molecular Formula:	C10H7NO
Canonical SMILES:	C1=CC2=C(C=CC(=C2)C=O)N=C1
InChI:	InChI=1S/C10H7NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-7H
InChI Key:	VUAOIXANWIFYCU-UHFFFAOYSA-N
Boiling Point:	314.3 °C at 760 mmHg
Purity:	98 %
Density:	1.223 g/cm³
MDL:	MFCD00805836
LogP:	2.04730

Publication Number	Title	Priority Date
CN-112250638-A	1, 3-diaryl-1, 2, 4-triazole compound and preparation method and application thereof	20201113
CN-111606823-A	Method for converting aromatic aldehyde into aromatic nitrile by using inorganic ammonium as nitrogen source and promoted by sulfur powder	20200624
CN-111518166-A	Peptide-like compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof	20200520
WO-2021072330-A1	Galnac-tgfbr1 inhibitor conjugates for the treatment of liver diseases	20191009
CN-109912576-A	Cyclic annular or loop coil Diamines pyrimidine-hydroxamic acid and application thereof	20190320

PMID	Publication Date	Title	Journal
22683559	20121001	Determination of structural and vibrational properties of 6-quinolinecarboxaldehyde using FT-IR, FT-Raman and dispersive-Raman experimental techniques and theoretical HF and DFT (B3LYP) methods	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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

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:	1.6