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| CAS No.: | 18967-31-2 |
|---|---|
| Name: | PENTABROMOPHENYL METHACRYLATE |
| Molecular Structure: | |
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| Formula: | C10H5Br5O2 |
| Molecular Weight: | 556.668 |
| Synonyms: | 2-Methylpropenoic acid pentabromophenyl ester; |
| EINECS: | 242-705-8 |
| Density: | 2.359 g/cm3 |
| Melting Point: | 139-141 °C(lit.) |
| Boiling Point: | 477.7 °C at 760 mmHg |
| Flash Point: | 242.7 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26/28 |
| PSA: | 26.30000 |
| LogP: | 5.98060 |
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Specification
The Perbromophenyl methacrylate, with the CAS registry number of 18967-31-2, is also known as 2-Methylpropenoic acid pentabromophenyl ester. It belongs to the product categories of monomer; Acrylic Monomers; C10 to C11Photonic and Optical Materials; Carbonyl Compounds; Esters; High Refractive Index MonomersMonomers; Methacrylate; Waveguide Materials. Its EINECS registry number is 242-705-8. This chemical's molecular formula is C10H5Br5O2 and molecular weight is 556.67. What's more, its IUPAC name is (2,3,4,5,6-Pentabromophenyl) 2-methylprop-2-enoate. In addition, it must be stored in airtight containers and kept in cold storage.
Physical properties about the Perbromophenyl methacrylate are: (1)ACD/LogP: 6.11; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.11; (4)ACD/LogD (pH 7.4): 6.11; (5)ACD/BCF (pH 5.5): 26090.42; (6)ACD/BCF (pH 7.4): 26090.42; (7)ACD/KOC (pH 5.5): 50454.78; (8)ACD/KOC (pH 7.4): 50454.78; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 84.87 cm3; (15)Molar Volume: 235.8 cm3; (16)Surface Tension: 49.6 dyne/cm; (17)Density: 2.359 g/cm3; (18)Flash Point: 242.7 °C; (19)Enthalpy of Vaporization: 74.17 kJ/mol; (20)Boiling Point: 477.7 °C at 760 mmHg; (21)Vapour Pressure: 2.74E-09 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. Besides, it is very toxic if swallowed.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1c(OC(=O)\C(=C)C)c(Br)c(Br)c(Br)c1Br
(2) InChI: InChI=1/C10H5Br5O2/c1-3(2)10(16)17-9-7(14)5(12)4(11)6(13)8(9)15/h1H2,2H3
(3) InChIKey: OFZRSOGEOFHZKS-UHFFFAOYAH