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| CAS No.: | 201138-91-2 |
|---|---|
| Name: | 4,6-Dibromodibenzofuran |
| Molecular Structure: | |
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| Formula: | C12H6Br2O |
| Molecular Weight: | 325.987 |
| Synonyms: | 4,6-Dibromodibenzofuran |
| Density: | 1.886 g/cm3 |
| Melting Point: | 147.0 to 151.0 °C |
| Boiling Point: | 396.049 °C at 760 mmHg |
| Flash Point: | 193.324 °C |
| PSA: | 13.14000 |
| LogP: | 5.11100 |
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Specification
The 4,6-Dibromodibenzofuran, with the CAS registry number 201138-91-2, is also known as Dibenzofuran, 4,6-dibromo-. This chemical's molecular formula is C12H6Br2O and molecular weight is 325.98. What's more, its systematic name is 4,6-Dibromodibenzo[b,d]furan.
Physical properties of 4,6-Dibromodibenzofuran are: (1)ACD/LogP: 5.796; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.80; (4)ACD/LogD (pH 7.4): 5.80; (5)ACD/BCF (pH 5.5): 14948.46; (6)ACD/BCF (pH 7.4): 14948.46; (7)ACD/KOC (pH 5.5): 33865.98; (8)ACD/KOC (pH 7.4): 33865.98; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 13.14 Å2; (13)Index of Refraction: 1.739; (14)Molar Refractivity: 69.618 cm3; (15)Molar Volume: 172.829 cm3; (16)Polarizability: 27.599×10-24cm3; (17)Surface Tension: 54.7 dyne/cm; (18)Density: 1.886 g/cm3; (19)Flash Point: 193.324 °C; (20)Enthalpy of Vaporization: 62.108 kJ/mol; (21)Boiling Point: 396.049 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2c1oc3c(c1ccc2)cccc3Br
(2)Std. InChI: InChI=1S/C12H6Br2O/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1-6H
(3)Std. InChIKey: XSJLDNSNUICSQC-UHFFFAOYSA-N