1-methoxynaphthalene

• ChemBase ID: 108221
• Molecular Formular: C11H10O
• Molecular Mass: 158.1965
• Monoisotopic Mass: 158.07316494
• SMILES: COc1cccc2c1cccc2
• Canonical SMILES: COc1cccc2c1cccc2
• InChI: InChI=1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
• InChIKey: NQMUGNMMFTYOHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxynaphthalene
• IUPAC Traditional name: naphthalene, 1-methoxy-
• Synonyms: Methyl 1-naphthyl ether; 1-Methoxynaphthalene; 1-METHOXYNAPHTHALENE; 1-萘甲醚; 1-甲氧基萘

Database IDs

• CAS Number: 2216-69-5
• EC Number: 218-696-1
• MDL Number: MFCD00003924
• Beilstein Number: 774884; 7748884
• PubChem SID: 162094181; 24849454
• PubChem CID: 16668

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8050513
• LogD (pH = 7.4): 2.8050513
• Log P: 2.8050513
• Molar Refractivity: 48.9714 cm^3
• Polarizability: 20.473286 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 5°C
• Boiling Point: 135-137 °C/12 mmHg(lit.); 135-137°C/12mm
• Flash Point: >110°C(230°F); 112 °C; 233.6 °F
• Density: 1.09 g/mL at 25 °C(lit.); 1.094
• Refractive Index: 1.6210; n20/D 1.621; n20/D 1.621(lit.)

Safety Information

• RTECS: QJ9465500
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥98%; ≥98.0% (GC); 95+%; 97%; 98+%
• Grade: purum
• Linear Formula: C10H7OCH3

DETAILS

MP Biomedicals - 05206527

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 154571

Packaging
10, 50 g in glass bottle