1,4-dichloronaphthalene

• ChemBase ID: 234980
• Molecular Formular: C10H6Cl2
• Molecular Mass: 197.06064
• Monoisotopic Mass: 195.98465555
• SMILES: c12c(c(ccc1Cl)Cl)cccc2
• Canonical SMILES: Clc1ccc(c2c1cccc2)Cl
• InChI: InChI=1S/C10H6Cl2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
• InChIKey: JDPKCYMVSKDOGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dichloronaphthalene
• IUPAC Traditional name: 1,4-dichloronaphthalene
• Synonyms: 1,4-dichloronaphthalene

Database IDs

• MDL Number: MFCD00152414
• PubChem SID: 164290890
• PubChem CID: 15769

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.170812
• LogD (pH = 7.4): 4.170812
• Log P: 4.170812
• Molar Refractivity: 52.1178 cm^3
• Polarizability: 21.578484 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 63 - 65°C
• Hydrophobicity(logP): 4.742

Product Information

• Purity: 95%