naphthalen-2-yl prop-2-enoate

• ChemBase ID: 153042
• Molecular Formular: C13H10O2
• Molecular Mass: 198.2173
• Monoisotopic Mass: 198.06807956
• SMILES: C=CC(=O)Oc1ccc2ccccc2c1
• Canonical SMILES: C=CC(=O)Oc1ccc2c(c1)cccc2
• InChI: InChI=1S/C13H10O2/c1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12/h2-9H,1H2
• InChIKey: SLVJUZOHXPZVLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-2-yl prop-2-enoate
• IUPAC Traditional name: naphthalen-2-yl prop-2-enoate
• Synonyms: 2-Naphthyl acrylate; 2-萘基丙烯酸酯

Database IDs

• CAS Number: 52684-34-1
• MDL Number: MFCD00080579
• PubChem SID: 24880553; 162247182
• PubChem CID: 3664250

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.55961
• LogD (pH = 7.4): 3.55961
• Log P: 3.55961
• Molar Refractivity: 58.2883 cm^3
• Polarizability: 23.916039 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 38-42 °C(lit.)
• Absorption Wavelength: λmax 220 nm

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 90%
• Empirical Formula (Hill Notation): C13H10O2

DETAILS

Sigma Aldrich - 577189

Application
Fluorescent monomer
Packaging
100 mg in glass bottle