(2H7)naphthalen-2-ol

• ChemBase ID: 149641
• Molecular Formular: C10H8O
• Molecular Mass: 144.16992
• Monoisotopic Mass: 144.05751488
• SMILES: c1ccc2cc(ccc2c1)O
• Canonical SMILES: Oc1ccc2c(c1)cccc2
• InChI: InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
• InChIKey: JWAZRIHNYRIHIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₇)naphthalen-2-ol
• IUPAC Traditional name: (^2H₇)naphthalen-2-ol
• Synonyms: 2-Naphthol-1,3,4,5,6,7,8-d7; 2-萘酚-1,3,4,5,6,7,8-d7

Database IDs

• CAS Number: 78832-54-9
• MDL Number: MFCD01074243
• PubChem SID: 162243804; 24872369
• PubChem CID: 16213383

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 9.783224
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6591349
• LogD (pH = 7.4): 2.6573746
• Log P: 2.6591573
• Molar Refractivity: 44.4891 cm^3
• Polarizability: 18.580711 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0

PROPERTIES

Physical Property

• Melting Point: 120-122 °C(lit.)
• Boiling Point: 285-286 °C(lit.)
• Mass Shift: M+7

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 20/22-50
• Safety Statements: 24/25-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H332-H400
• GHS Precautionary statements: P273

Product Information

• Isotopic Purity: 97 atom % D
• Mol. Weight: mol wt 151.01 by atom % calculation
• Linear Formula: C10D7HO

DETAILS

Sigma Aldrich - 491454

Packaging
250 mg in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.