(2H7)naphthalen-1-ol

• ChemBase ID: 147201
• Molecular Formular: C10H8O
• Molecular Mass: 144.16992
• Monoisotopic Mass: 144.05751488
• SMILES: c1ccc2c(c1)cccc2O
• Canonical SMILES: Oc1cccc2c1cccc2
• InChI: InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
• InChIKey: KJCVRFUGPWSIIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 124251-84-9
• MDL Number: MFCD00142671
• PubChem SID: 24872281; 162241392
• PubChem CID: 16213355

CALCULATED PROPERTIES

• Acid pKa: 9.601542
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6591232
• LogD (pH = 7.4): 2.6564522
• Log P: 2.6591573
• Molar Refractivity: 44.4891 cm^3
• Polarizability: 18.583405 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94-96 °C(lit.)
• Boiling Point: 278-280 °C(lit.)
• Mass Shift: M+7

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 21/22-37/38-41
• Safety Statements: 22-26-37/39
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338

Product Information

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

DETAILS

Sigma Aldrich - 487538

Packaging
1 g 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.