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| CAS No.: | 52358-73-3 |
|---|---|
| Name: | 1,3-Dibromonaphthalene |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C10H6Br2 |
| Molecular Weight: | 285.966 |
| Synonyms: | 1,3-Dibromonaphthalene |
| Density: | 1.834 g/cm3 |
| Melting Point: | 62.8°C |
| Boiling Point: | 334.324 °C at 760 mmHg |
| Flash Point: | 181.084 °C |
| PSA: | 0.00000 |
| LogP: | 4.36480 |
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Specification
With the CAS registry number 52358-73-3, the systematic name of 1,3-Dibromonaphthalene is 1,3-dibromonaphthalene. In addition, its molecular formula is C10H6Br2 and molecular weight is 285.96.
The other characteristics of 1,3-Dibromonaphthalene can be summarized as: (1)ACD/LogP: 4.93; (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: 59.476 cm3; (12)Molar Volume: 155.919 cm3; (13)Polarizability: 23.578×10-24cm3; (14)Surface Tension: 48.799 dyne/cm; (15)Density: 1.834 g/cm3; (16)Flash Point: 181.084 °C; (17)Enthalpy of Vaporization: 55.438 kJ/mol; (18)Boiling Point: 334.324 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:Brc2c1c(cccc1)cc(Br)c2
(2)InChI:InChI=1/C10H6Br2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6H
(3)InChIKey:FXXDEDLMJFARFD-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C10H6Br2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h1-6H
(5)Std. InChIKey:FXXDEDLMJFARFD-UHFFFAOYSA-N