naphthalene-1-carbaldehyde

• ChemBase ID: 89577
• Molecular Formular: C11H8O
• Molecular Mass: 156.18062
• Monoisotopic Mass: 156.05751488
• SMILES: O=Cc1cccc2ccccc12
• Canonical SMILES: O=Cc1cccc2c1cccc2
• InChI: InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H
• InChIKey: SQAINHDHICKHLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalene-1-carbaldehyde
• IUPAC Traditional name: 1-naphthaldehyde
• Synonyms: 1-NAPHTHALDEHYDE, REAGENT GRADE; α-NAPHTHALDEHYDE; α-Naphthaldehyde; 1-Naphthaldehyde; 1-Formylnaphthalene; 1-Naphthaldehyde; 1-Naphthalenecarboxaldehyde; 1-Naphathalenecarboxaldehyde; α-萘甲醛; 1-萘甲醛; 1-萘醛

Database IDs

• CAS Number: 66-77-3
• EC Number: 200-633-4
• MDL Number: MFCD00004003
• Beilstein Number: 386082
• PubChem SID: 24886065; 24897459; 162076452
• PubChem CID: 6195

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: 19.836798 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 1°C; 1-2 °C(lit.); 1-2°C; 1-2°C
• Boiling Point: 160-161 °C/15 mmHg(lit.); 160-161°C/15mm; 160-161°C/15mm
• Flash Point: 110 °C; 112°C(233°F); 230 °F
• Density: 1.148; 1.15 g/ml; 1.15 g/mL at 25 °C(lit.)
• Refractive Index: 1.6520; n20/D 1.652(lit.)
• Vapor Density: >1 (vs air)

Safety Information

• Storage Condition: 2-8°C, Store Under Nitrogen
• Storage Warning: Air Sensitive; Irritant
• RTECS: QJ0190000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22; 22-36/37/38; R:22
• Safety Statements: 26-36/37-60; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302; H302-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95% (GC); 90%; 95%; 95+%; 97%
• Grade: REAGENT; technical
• Impurities: ≤1% naphthoic acid
• Linear Formula: C10H7CHO

DETAILS

MP Biomedicals - 05210576

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155771

Purity: 90% Balance primarily β-naphthaldehyde 1 ml = approx. 1.15 g

Sigma Aldrich - N109

Packaging
2, 100, 500 g in glass bottle