7-methoxynaphthalen-2-ol

• ChemBase ID: 150522
• Molecular Formular: C11H10O2
• Molecular Mass: 174.1959
• Monoisotopic Mass: 174.06807956
• SMILES: COc1ccc2ccc(cc2c1)O
• Canonical SMILES: COc1ccc2c(c1)cc(cc2)O
• InChI: InChI=1S/C11H10O2/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h2-7,12H,1H3
• InChIKey: UNFNRIIETORURP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxynaphthalen-2-ol
• IUPAC Traditional name: 7-methoxynaphthalen-2-ol
• Synonyms: 7-Methoxy-2-naphthol; 7-methoxy-2-naphthol; 7-methoxynaphthalen-2-ol; 7-甲氧基-2-萘酚

Database IDs

• CAS Number: 5060-82-2
• MDL Number: MFCD00075494
• Beilstein Number: 2207279
• PubChem SID: 24883812; 162244683; 24862762
• PubChem CID: 853173

CALCULATED PROPERTIES

• Acid pKa: 9.769917
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5014627
• LogD (pH = 7.4): 2.499648
• Log P: 2.501486
• Molar Refractivity: 50.9523 cm^3
• Polarizability: 20.993546 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 116-119 °C; 116-119 °C(lit.); 117 - 119°C
• Hydrophobicity(logP): 2.703

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (HPLC); 95%; 98%; min 98%
• Grade: purum
• Linear Formula: CH3OC10H6OH

DETAILS

Sigma Aldrich - 367508

Packaging
5, 25 g in glass bottle