6,7-dichloro-2-methylquinoline

• ChemBase ID: 9386
• Molecular Formular: C10H7Cl2N
• Molecular Mass: 212.07528
• Monoisotopic Mass: 210.99555459
• SMILES: c1(c(cc2c(c1)ccc(n2)C)Cl)Cl
• Canonical SMILES: Cc1ccc2c(n1)cc(c(c2)Cl)Cl
• InChI: InChI=1S/C10H7Cl2N/c1-6-2-3-7-4-8(11)9(12)5-10(7)13-6/h2-5H,1H3
• InChIKey: XYNNEGCJICWPFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dichloro-2-methylquinoline
• IUPAC Traditional name: 6,7-dichloro-2-methylquinoline
• Synonyms: 6,7-Dichloroquinaldine

Database IDs

• CAS Number: 71063-12-2
• MDL Number: MFCD00270103
• PubChem SID: 160972693
• PubChem CID: 2758222

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4656682
• LogD (pH = 7.4): 3.4703007
• Log P: 3.47036
• Molar Refractivity: 54.1804 cm^3
• Polarizability: 22.460732 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121-123°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%