2-(naphthalen-2-yl)acetyl chloride

• ChemBase ID: 91957
• Molecular Formular: C12H9ClO
• Molecular Mass: 204.65226
• Monoisotopic Mass: 204.03419259
• SMILES: O=C(Cc1cc2ccccc2cc1)Cl
• Canonical SMILES: ClC(=O)Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C12H9ClO/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
• InChIKey: QEJGMKHQXSZCOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yl)acetyl chloride
• IUPAC Traditional name: 2-(naphthalen-2-yl)acetyl chloride
• Synonyms: 2-Naphth-2-ylacetyl chloride; 2-(2-naphthyl)acetyl chloride

Database IDs

• CAS Number: 37859-25-9
• MDL Number: MFCD02180524
• PubChem SID: 162078655
• PubChem CID: 588115

CALCULATED PROPERTIES

• Acid pKa: 15.042968
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1338005
• LogD (pH = 7.4): 3.1338005
• Log P: 3.1338005
• Molar Refractivity: 57.6743 cm^3
• Polarizability: 23.45754 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 61-65°C

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%