2-(naphthalen-1-yl)acetyl chloride

• ChemBase ID: 85457
• Molecular Formular: C12H9ClO
• Molecular Mass: 204.65226
• Monoisotopic Mass: 204.03419259
• SMILES: O=C(Cc1cccc2ccccc12)Cl
• Canonical SMILES: ClC(=O)Cc1cccc2c1cccc2
• InChI: InChI=1S/C12H9ClO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
• InChIKey: DSVAZLXLRDXHKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-yl)acetyl chloride
• IUPAC Traditional name: 2-(naphthalen-1-yl)acetyl chloride
• Synonyms: 1-Naphthaleneacetyl chloride; 1-Naphthylacetyl chloride; 2-(naphthalen-1-yl)acetyl chloride; 2-(Naphth-1-yl)ethanoyl chloride; (Naphth-1-yl)acetyl chloride; 2-(1-naphthyl)ethanoyl chloride; 1-萘基乙酰氯

Database IDs

• CAS Number: 5121-00-6
• MDL Number: MFCD00175852
• PubChem SID: 162072573
• PubChem CID: 2795386

CALCULATED PROPERTIES

• Acid pKa: 14.861986
• 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: 23.458162 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 130°C/0.6mm; 130°C/0.6mm
• Density: 1.23
• Refractive Index: 1.6210
• Hydrophobicity(logP): 3.073

Safety Information

• Storage Warning: Corrosive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 95%