2-(naphthalen-1-yl)acetyl 2-(naphthalen-1-yl)acetate

• ChemBase ID: 140286
• Molecular Formular: C24H18O3
• Molecular Mass: 354.39792
• Monoisotopic Mass: 354.12559444
• SMILES: c1ccc2c(c1)cccc2CC(=O)OC(=O)Cc1cccc2c1cccc2
• Canonical SMILES: O=C(Cc1cccc2c1cccc2)OC(=O)Cc1cccc2c1cccc2
• InChI: InChI=1S/C24H18O3/c25-23(15-19-11-5-9-17-7-1-3-13-21(17)19)27-24(26)16-20-12-6-10-18-8-2-4-14-22(18)20/h1-14H,15-16H2
• InChIKey: ACONQQKANQRXQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-yl)acetyl 2-(naphthalen-1-yl)acetate
• IUPAC Traditional name: 2-(naphthalen-1-yl)acetyl 2-(naphthalen-1-yl)acetate
• Synonyms: 1-Naphthaleneacetic anhydride; 1-Naphthylacetic anhydride; 1-萘基乙酸酐; 1-萘乙酸酐

Database IDs

• CAS Number: 5415-58-7
• MDL Number: MFCD00210070
• Beilstein Number: 2168120
• PubChem SID: 162234530; 24886136; 24867484
• PubChem CID: 223053

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.3351135
• LogD (pH = 7.4): 5.3351135
• Log P: 5.3351135
• Molar Refractivity: 104.4262 cm^3
• Polarizability: 43.26082 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 116-119 °C; 116-119 °C(lit.)
• Fluorescence: λex 216 nm; λem 360 nm (polyamin adduct)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (T); 96%
• Grade: for fluorescence; purum
• Linear Formula: (C10H7CH2CO)2O

DETAILS

Sigma Aldrich - 438952

Packaging
1 g in glass bottle

Sigma Aldrich - 70930

Other Notes
Derivatizing agent for the determination of airborne polyamines with HPLC, with N,N-Diisopropyl-naphthylacetamide as standard 1