naphthalen-2-yl 2-methylprop-2-enoate

• ChemBase ID: 153040
• Molecular Formular: C14H12O2
• Molecular Mass: 212.24388
• Monoisotopic Mass: 212.08372962
• SMILES: CC(=C)C(=O)Oc1ccc2ccccc2c1
• Canonical SMILES: CC(=C)C(=O)Oc1ccc2c(c1)cccc2
• InChI: InChI=1S/C14H12O2/c1-10(2)14(15)16-13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,1H2,2H3
• InChIKey: CXOYJPWMGYDJNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: naphthalen-2-yl 2-methylprop-2-enoate
• IUPAC Traditional name: naphthalen-2-yl 2-methylprop-2-enoate
• Synonyms: 2-Naphthyl methacrylate; 甲丙烯酰酸-2-萘酯; 甲基丙烯酸萘酯

Database IDs

• CAS Number: 10475-46-4
• EC Number: 233-967-4
• MDL Number: MFCD00080581
• PubChem SID: 24880911; 162247180
• PubChem CID: 82654

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9551604
• LogD (pH = 7.4): 3.9551604
• Log P: 3.9551604
• Molar Refractivity: 62.6454 cm^3
• Polarizability: 25.763052 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 62-64 °C(lit.)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36; 36/37/38
• Safety Statements: 26-28; 26-36
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C14H12O2

DETAILS

Sigma Aldrich - 578169

Application
Fluorescent monomer
Packaging
1 g in glass bottle