naphthalene-2-carbaldehyde

• ChemBase ID: 104877
• Molecular Formular: C11H8O
• Molecular Mass: 156.18062
• Monoisotopic Mass: 156.05751488
• SMILES: O=Cc1ccc2ccccc2c1
• Canonical SMILES: O=Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C11H8O/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H
• InChIKey: PJKVFARRVXDXAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-2-carbaldehyde
• IUPAC Traditional name: 2-naphthaldehyde
• Synonyms: 2-NAPHTHALDEHYDE; 2-Naphathalenecarboxaldehyde; 2-Naphthalenecarboxaldehyde; β-NAPHTHALDEHYDE; β-Naphthaldehyde; 2-Naphthaldehyde; β-萘甲醛; 2-萘甲醛

Database IDs

• CAS Number: 66-99-9
• EC Number: 200-640-2
• MDL Number: MFCD00004094
• Beilstein Number: 507750
• PubChem SID: 24897548; 162092193; 24886066
• PubChem CID: 6201

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.675225
• LogD (pH = 7.4): 2.675225
• Log P: 2.675225
• Molar Refractivity: 49.0922 cm^3
• Polarizability: 19.834333 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58-61 °C; 58-61 °C(lit.); 59-62°C
• Boiling Point: 160°C/19mm

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: Air Sensitive
• RTECS: QJ0190010
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; R:36
• Safety Statements: 26-36/37; S:26
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: ≥95.0% (GC); 97%; 98%
• Grade: purum
• Impurities: ≤1% free acid
• Linear Formula: C10H7CHO

DETAILS

MP Biomedicals - 05209432

MP Biomedicals Rare Chemical collection

Sigma Aldrich - N206

Packaging
5, 25, 100 g in glass bottle