2-ethoxynaphthalene-1-carbonyl chloride

• ChemBase ID: 295882
• Molecular Formular: C13H11ClO2
• Molecular Mass: 234.67824
• Monoisotopic Mass: 234.04475727
• SMILES: CCOc1ccc2ccccc2c1C(=O)Cl
• Canonical SMILES: CCOc1ccc2c(c1C(=O)Cl)cccc2
• InChI: InChI=1S/C13H11ClO2/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3
• InChIKey: ZRVFFIXOCFUHDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxynaphthalene-1-carbonyl chloride
• IUPAC Traditional name: 2-ethoxynaphthalene-1-carbonyl chloride
• Synonyms: 2-Ethoxynaphthalene-1-carbonyl chloride; 2-Ethoxy-1-naphthoyl chloride; 2-ethoxyNaphthalene-1-carbonyl chloride; 2-乙氧基-1-萘酰氯

Database IDs

• CAS Number: 55150-29-3
• EC Number: 259-502-5
• MDL Number: MFCD00046426
• Beilstein Number: 2844104
• PubChem SID: 180681413
• PubChem CID: 108679

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3527718
• LogD (pH = 7.4): 3.3527718
• Log P: 3.3527718
• Molar Refractivity: 64.8347 cm^3
• Polarizability: 25.938646 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76-80°C

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%