177121
3-Quinolinecarboxaldehyde
98%
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About This Item
Empirical Formula (Hill Notation):
C10H7NO
CAS Number:
Molecular Weight:
157.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
237-147-7
Beilstein/REAXYS Number:
113269
MDL number:
Product Name
3-Quinolinecarboxaldehyde, 98%
InChI key
RYGIHSLRMNXWCN-UHFFFAOYSA-N
InChI
1S/C10H7NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-7H
SMILES string
[H]C(=O)c1cnc2ccccc2c1
assay
98%
form
solid
mp
68-71 °C (lit.)
functional group
aldehyde
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Application
3-Quinolinecarboxaldehyde was used in the synthesis of 1,4-addition products.
General description
The structure and vibrational spectra of 3-quinolinecarboxaldehyde has been studied.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Ferles M and Kocian O.
Collection of Czechoslovak Chemical Communications, 46(6), 1518-1522 (1981)
M Kumru et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 90, 28-34 (2012-02-07)
Combined experimental and theoretical studies have been performed on the structure and vibrational spectra (IR and Raman spectra including far region) of 3-quinolinecarboxaldehyde. Hartree-Fock (HF) and density functional theory (DFT) B3LYP calculations have been employed with the 6-311++G(d,p) basis set
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