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| CAS No.: | 128-63-2 |
|---|---|
| Name: | 1,3,6,8-Tetrabromopyrene |
| Molecular Structure: | |
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| Formula: | C16H6Br4 |
| Molecular Weight: | 517.84 |
| Synonyms: | Pyrene,1,3,6,8-tetrabromo-; |
| EINECS: | 204-900-6 |
| Density: | 2.284 g/cm3 |
| Melting Point: | 416-420 °C |
| Boiling Point: | 548.218 °C at 760 mmHg |
| Flash Point: | 273.884 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 0.00000 |
| LogP: | 7.63400 |
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Specification
1,3,6,8-Tetrabromopyrene is an organic compound with the formula C16H6Br4, and its systematic name is the same with the product name. With the CAS registry number 128-63-2, it is also named as Pyrene,1,3,6,8-tetrabromo-. In addition, the molecular weight is 517.83.
Physical properties of 1,3,6,8-Tetrabromopyrene are: (1)ACD/LogP: 8.894; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8.89; (4)ACD/LogD (pH 7.4): 8.89; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 1642501.00; (8)ACD/KOC (pH 7.4): 1642501.00; (9)Index of Refraction: 1.873; (10)Molar Refractivity: 103.225 cm3; (11)Molar Volume: 226.717 cm3; (12)Polarizability: 40.922×10-24cm3; (13)Surface Tension: 68.26 dyne/cm; (14)Density: 2.284 g/cm3; (15)Flash Point: 273.884 °C; (16)Enthalpy of Vaporization: 79.68 kJ/mol; (17)Boiling Point: 548.218 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemcial is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc4cc(Br)c2ccc1c(Br)cc(Br)c3c1c2c4cc3
(2)Std. InChI: InChI=1S/C16H6Br4/c17-11-5-13(19)9-3-4-10-14(20)6-12(18)8-2-1-7(11)15(9)16(8)10/h1-6H
(3)Std. InChIKey: ZKBKRTZIYOKNRG-UHFFFAOYSA-N