2-[4-(4-chlorobenzoyl)benzoyloxy]ethyl prop-2-enoate

• ChemBase ID: 156255
• Molecular Formular: C19H15ClO5
• Molecular Mass: 358.7724
• Monoisotopic Mass: 358.06080126
• SMILES: C=CC(=O)OCCOC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)Cl
• Canonical SMILES: C=CC(=O)OCCOC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)Cl
• InChI: InChI=1S/C19H15ClO5/c1-2-17(21)24-11-12-25-19(23)15-5-3-13(4-6-15)18(22)14-7-9-16(20)10-8-14/h2-10H,1,11-12H2
• InChIKey: RBTZRUFZVIIWFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(4-chlorobenzoyl)benzoyloxy]ethyl prop-2-enoate
• IUPAC Traditional name: 2-[4-(4-chlorobenzoyl)benzoyloxy]ethyl prop-2-enoate
• Synonyms: 2-(Acryloyloxy)ethyl 4-(4-chlorobenzoyl)benzoate; Uvecryl P 36; 2-(丙烯酸)乙基-4-(4-氯苯甲酰基)苯甲酸酯

Database IDs

• CAS Number: 85340-63-2
• MDL Number: MFCD01863774
• PubChem SID: 24890001; 162250393
• PubChem CID: 4535415

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.7807703
• LogD (pH = 7.4): 4.7807703
• Log P: 4.7807703
• Molar Refractivity: 93.5551 cm^3
• Polarizability: 36.18346 Å^3
• Polar Surface Area: 69.67 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 109 °C; 228.2 °F
• Density: 1.23 g/mL at 20 °C(lit.)
• Viscosity: ~3200 mPa.s, neat(25 °C)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 24-36-43
• Safety Statements: 26-36/37-45
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H312-H315-H317-H319
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2922 8/PG 2

Product Information

• Grade: Selectophore™
• Empirical Formula (Hill Notation): C19H15ClO5

DETAILS

Sigma Aldrich - 94482

General description
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copolymerizable benzophenone derivative
Other Notes
Monomer employed in preparing photo-curable ion-selective membrane electrodes1
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH