quinoline-8-carbaldehyde

• ChemBase ID: 14024
• Molecular Formular: C10H7NO
• Molecular Mass: 157.16868
• Monoisotopic Mass: 157.05276385
• SMILES: c12c(cccc1C=O)cccn2
• Canonical SMILES: O=Cc1cccc2c1nccc2
• InChI: InChI=1S/C10H7NO/c12-7-9-4-1-3-8-5-2-6-11-10(8)9/h1-7H
• InChIKey: OVZQVGZERAFSPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinoline-8-carbaldehyde
• IUPAC Traditional name: quinoline-8-carbaldehyde
• Synonyms: 8-Formylquinoline; Quinoline-8-carboxaldehyde; 8-quinolinecarbaldehyde; Quinoline-8-carboxaldehyde; Quinoline-8-carbaldehyde; 喹啉-8-甲醛

Database IDs

• CAS Number: 38707-70-9
• EC Number: 000-000-0
• MDL Number: MFCD00805837
• Beilstein Number: 113039
• PubChem SID: 160977331
• PubChem CID: 170103

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8409348
• LogD (pH = 7.4): 1.8433716
• Log P: 1.8434029
• Molar Refractivity: 46.5633 cm^3
• Polarizability: 18.889261 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92-94°C; 92-94°C; 93 - 95°C
• Partition Coefficient: 2.033
• Hydrophobicity(logP): 1.809

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Irritant/Air Sensitive/Store under Argon
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 95+%; 97%; 98%; 98+%