naphthalene-2,3-diol

• ChemBase ID: 110333
• Molecular Formular: C10H8O2
• Molecular Mass: 160.16932
• Monoisotopic Mass: 160.0524295
• SMILES: Oc1cc2c(cccc2)cc1O
• Canonical SMILES: Oc1cc2ccccc2cc1O
• InChI: InChI=1S/C10H8O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,11-12H
• InChIKey: JRNGUTKWMSBIBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-2,3-diol
• IUPAC Traditional name: 2,3-dihydroxynaphthalene
• Synonyms: 2,3-Naphthalenediol; 2,3-Dihydroxynaphthalene; 2,3-DIHYDROXYNAPHTHALENE; Naphthalene-2,3-diol; 2,3-萘二酚; 2,3-二羟基萘

Database IDs

• CAS Number: 92-44-4
• EC Number: 202-156-7
• MDL Number: MFCD00004073
• Beilstein Number: 742375
• PubChem SID: 24863511; 24863512; 162095774
• PubChem CID: 7091

CALCULATED PROPERTIES

• Acid pKa: 9.101663
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.355484
• LogD (pH = 7.4): 2.3471022
• Log P: 2.355592
• Molar Refractivity: 46.47 cm^3
• Polarizability: 19.072813 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161-165 °C; 161-165 °C(lit.); 162-164 °C; 162-165°C
• Flash Point: 175°C(347°F)

Safety Information

• RTECS: QJ4750000
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-37/38-41; 36/37/38
• Safety Statements: 26; 26-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H335-H318; H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Gene Information: human ... BAD(572)

Product Information

• Purity: ≥90% (HPLC); ≥98.0% (HPLC); 98%
• Grade: technical
• Purified By: sublimation
• Sublimation Residue: ≤1%
• Linear Formula: C10H6(OH)2

DETAILS

MP Biomedicals - 05214579

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 37760

Packaging
50, 250 g in poly bottle

Sigma Aldrich - D116009

Packaging
50 g in poly bottle
Application
Reagent for synthesis of aromatic polyamides,1 crown ethers,2 W(VI) complexes,3 and sulfonic acids.4