1-(2-chloroethyl)naphthalene

• ChemBase ID: 175001
• Molecular Formular: C12H11Cl
• Molecular Mass: 190.66874
• Monoisotopic Mass: 190.05492803
• SMILES: c1ccc2c(c1)c(ccc2)CCCl
• Canonical SMILES: ClCCc1cccc2c1cccc2
• InChI: InChI=1S/C12H11Cl/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2
• InChIKey: COIBFCUQUWJKEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloroethyl)naphthalene
• IUPAC Traditional name: 1-(2-chloroethyl)naphthalene
• Synonyms: 1-(2-Chloroethyl)naphthalene; 2-α-Naphthylethyl Chloride; 1-(1-Naphthyl)-2-chloroethane

Database IDs

• CAS Number: 41332-02-9
• PubChem SID: 164230911
• PubChem CID: 3540711

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.838626
• LogD (pH = 7.4): 3.838626
• Log P: 3.838626
• Molar Refractivity: 57.1301 cm^3
• Polarizability: 23.32374 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Acetone; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Colourless Liquid
• Boiling Point: 115°C@.1mmHg