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