2-Chloro-6-ethoxyquinoline-3-carbaldehyde
Product Specifications
- CAS
- 281208-98-8
- Molecular Formula
- C12H10ClNO2
- Appearance
- beige to off-white solid
- Synonym(s)
- 2-Chloro-6-(ethoxyquinoline)-3-carboxaldehyde; 3-quinolinecarboxaldehyde, 2-Chloro-6-ethoxy-
- Shipping
- ambient temperature
- Storage
- 2-8°C
- SMILES
- CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C=O
- InChI
- InChI=1S/C12H10ClNO2/c1-2-16-10-3-4-11-8(6-10)5-9(7-15)12(13)14-11/h3-7H,2H2,1H3
Product Information
2-Chloro-6-ethoxyquinoline-3-carbaldehyde is identified by CAS 281208-98-8 and formula C12H10ClNO2. PubChem maps that CAS to exactly one entry, CID 788658, with molecular weight 235.66. The official connectivity is SMILES CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C=O, and InChIKey BNLBYGHJJYCBEJ-UHFFFAOYSA-N points to the same single-component molecular graph. No stereochemical descriptor is defined.
The quinoline framework contains one ring nitrogen within a fused bicyclic aromatic system. Chlorine is attached at position 2, the aldehyde carbon at position 3, and ethoxy at position 6. The ethoxy group accounts for one oxygen and two carbons; the second oxygen belongs to the aldehyde. PubChem's preferred Title and IUPAC name both say carbaldehyde. It also lists 2-chloro-6-ethoxyquinoline-3-carboxaldehyde as a synonym for the identical CAS and graph, so this difference is nomenclature rather than a change in attachment point or molecular form.
A precise inquiry to Rlavie should quote CAS 281208-98-8, the preferred locanted name, and the requested quantity. Add a MOL or SDF structure file so the 2-chloro, 3-aldehyde, and 6-ethoxy positions can be matched with PubChem CID 788658, the verified SMILES, and InChIKey BNLBYGHJJYCBEJ-UHFFFAOYSA-N. This comparison should occur before request-specific details are reviewed. A generic phrase such as “chloro ethoxy quinoline aldehyde” omits every decisive ring locant, while formula C12H10ClNO2 cannot distinguish another positional isomer.