2,6-dichloronaphthalene

• ChemBase ID: 75212
• Molecular Formular: C10H6Cl2
• Molecular Mass: 197.06064
• Monoisotopic Mass: 195.98465555
• SMILES: Clc1ccc2c(c1)ccc(c2)Cl
• Canonical SMILES: Clc1ccc2c(c1)ccc(c2)Cl
• InChI: InChI=1S/C10H6Cl2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6H
• InChIKey: YCFUHBHONRJFHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloronaphthalene
• IUPAC Traditional name: 2,6-dichloronaphthalene
• Synonyms: 2,6-Dichloronaphthalene 97%

Database IDs

• CAS Number: 2065-70-5
• MDL Number: MFCD01861450
• PubChem SID: 162040130
• PubChem CID: 16366

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: 21.560528 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant