anthracen-9-ylmethyl 2-methylprop-2-enoate

• ChemBase ID: 153049
• Molecular Formular: C19H16O2
• Molecular Mass: 276.32914
• Monoisotopic Mass: 276.11502975
• SMILES: CC(=C)C(=O)OCc1c2ccccc2cc2c1cccc2
• Canonical SMILES: CC(=C)C(=O)OCc1c2ccccc2cc2c1cccc2
• InChI: InChI=1S/C19H16O2/c1-13(2)19(20)21-12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-11H,1,12H2,2H3
• InChIKey: MJYSISMEPNOHEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: anthracen-9-ylmethyl 2-methylprop-2-enoate
• IUPAC Traditional name: anthracen-9-ylmethyl 2-methylprop-2-enoate
• Synonyms: 2-Methyl-2-propenoic Acid 9-Anthracenyl Ester; 9-Methacryloyloxyanthracene; RJC 02811; 9-Anthryl Methacrylate; 9-Anthracenylmethyl methacrylate; 甲基丙烯酸-9-蒽甲酯

Database IDs

• CAS Number: 31645-35-9; 32468-70-5
• MDL Number: MFCD00673247
• PubChem SID: 24880913; 162247189
• PubChem CID: 3618754

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.011152
• LogD (pH = 7.4): 5.011152
• Log P: 5.011152
• Molar Refractivity: 83.9306 cm^3
• Polarizability: 35.250885 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Yellow Solid
• Melting Point: 133-135°C; 80-85 °C(lit.)
• Absorption Wavelength: λmax 249 nm

Safety Information

• Storage Condition: -20°C Freezer
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 41
• Safety Statements: 25-26-36/39
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C19H16O2

DETAILS

Sigma Aldrich - 578207

Packaging
100 mg in glass bottle

Toronto Research Chemicals - A684980

Used in the synthesis of fluorescently labeled phthalic anhydride (PA) functionalized polymers by ATRP.

REFERENCES

• Li, L., et al.: Langmuir, 12, 2141 (1996)
• Moon, B., et al.: Macromolecules, 34, 7491 (1996)