PENTABROMOBENZYL ACRYLATE

The 2-Propenoic acid,(2,3,4,5,6-pentabromophenyl)methyl ester, with the CAS registry number 59447-55-1, is also known as Pentabromobenzyl acrylate. It belongs to the product categories of C10 to C11 Photonic and Optical Materials; AcrylateCarbonyl Compounds; Acrylic Monomers; Esters; High Refractive Index Monomers; Monomers; Waveguide Materials. Its EINECS number is 261-767-7. This chemical's molecular formula is C₁₀H₅Br₅O₂ and molecular weight is 556.67. What's more, its systematic name is pentabromobenzyl prop-2-enoate. Its classification codes are: TSCA Flag E [Subject to the Section 5(e) Consent Order ofTSCA]; TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]; TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule) under TSCA]. When you are using this chemical, please be cautious about it. Do not breathe dust and you should avoid contact with skin and eyes.

Physical properties of 2-Propenoic acid,(2,3,4,5,6-pentabromophenyl)methyl ester are: (1)ACD/LogP: 5.46; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.46; (4)ACD/LogD (pH 7.4): 5.46; (5)ACD/BCF (pH 5.5): 8360.01; (6)ACD/BCF (pH 7.4): 8360.01; (7)ACD/KOC (pH 5.5): 22341.17; (8)ACD/KOC (pH 7.4): 22341.17; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4 ; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 85.01 cm³; (15)Molar Volume: 234.7 cm³; (16)Polarizability: 33.7×10^-24cm³; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 2.371 g/cm³; (19)Flash Point: 242.7 °C; (20)Enthalpy of Vaporization: 74.17 kJ/mol; (21)Boiling Point: 477.7 °C at 760 mmHg; (22)Vapour Pressure: 2.73E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(c(Br)c(Br)c(Br)c1Br)COC(=O)\C=C
(2)Std. InChI: InChI=1S/C10H5Br5O2/c1-2-5(16)17-3-4-6(11)8(13)10(15)9(14)7(4)12/h2H,1,3H2
(3)Std. InChIKey: GRKDVZMVHOLESV-UHFFFAOYSA-N