naphthalene-1,5-diol

• ChemBase ID: 107511
• Molecular Formular: C10H8O2
• Molecular Mass: 160.16932
• Monoisotopic Mass: 160.0524295
• SMILES: Oc1cccc2c1cccc2O
• Canonical SMILES: Oc1cccc2c1cccc2O
• InChI: InChI=1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H
• InChIKey: BOKGTLAJQHTOKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-1,5-diol
• IUPAC Traditional name: 1,5-dihydroxynaphthalene
• Synonyms: 1,5-Naphthalenediol; 1,5-Dihydroxynaphthalene; 1,5-DIHYDROXYNAPHTHALENE; Naphthalene-1,5-diol; 1,5-dihydroxy Naphthalene; 1,5-萘二酚; 1,5-二羟基萘

Database IDs

• CAS Number: 83-56-7
• EC Number: 201-487-4
• MDL Number: MFCD00003980
• Beilstein Number: 2044951
• PubChem SID: 162093809; 24863217; 24893367
• PubChem CID: 6749

CALCULATED PROPERTIES

• Acid pKa: 9.211189
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.355508
• LogD (pH = 7.4): 2.3489587
• Log P: 2.355592
• Molar Refractivity: 46.47 cm^3
• Polarizability: 19.078669 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 258-261 °C; 259-261 °C (dec.)(lit.); ca 260°C dec.
• Flash Point: 252°C(486°F)

Safety Information

• RTECS: QJ4740000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22; 22-36
• Safety Statements: 22-24/25; 26-36-60
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H319; H302
• GHS Precautionary statements: P280-P301+P310-P305+P351+P338-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95.0% (HPLC); 97%; 98%
• Grade: purum
• Linear Formula: C10H6(OH)2

DETAILS

MP Biomedicals - 05204028

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D115606

Packaging
100, 500 g in poly bottle