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| CAS No.: | 19125-84-9 |
|---|---|
| Name: | 1,6-Dibromonaphthalene |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C10H6Br2 |
| Molecular Weight: | 285.966 |
| Synonyms: | 1,6-Dibromonaphthalene;Naphthalene, 1,6-dibroMo- |
| Density: | 1.834 g/cm3 |
| Boiling Point: | 339.1 °C at 760 mmHg |
| Flash Point: | 184.7 °C |
| PSA: | 0.00000 |
| LogP: | 4.36480 |
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Specification
With the CAS registry number 19125-84-9, the systematic name of 1,6-Dibromonaphthalene is 1,6-Dibromonaphthalene. In addition, its molecular formula is C10H6Br2 and molecular weight is 285.96.
The other characteristics of 1,6-Dibromonaphthalene can be summarized as: (1)ACD/LogP: 4.99; (2)# of Rule of 5 Violations: 0; (3)H bond acceptors: 0; (4)H bond donors: 0; (5)Freely Rotating Bonds: 0; (6)Nominal mass: 284; (7)Average mass: 285.9626; (8)Monoisotopic mass: 283.88361; (9)Polar Surface Area: 0 Å2; (10)Index of Refraction: 1.688; (11)Molar Refractivity: 59.47 cm3; (12)Molar Volume: 155.9 cm3; (13)Polarizability: 23.57×10-24cm3; (14)Surface Tension: 48.7 dyne/cm; (15)Density: 1.834 g/cm3; (16)Flash Point: 184.7 °C; (17)Enthalpy of Vaporization: 55.95 kJ/mol; (18)Boiling Point: 339.1 °C at 760 mmHg; (19)Vapour Pressure: 0.000184 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:Brc1cccc2c1ccc(Br)c2
(2)InChI:InChI=1/C10H6Br2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6H
(3)InChIKey:PUIAXCYSKMFFOU-UHFFFAOYAN
(4)Std. InChI:InChI=1S/C10H6Br2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6H
(5)Std. InChIKey:PUIAXCYSKMFFOU-UHFFFAOYSA-N