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5438-13-1

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Basic Information
CAS No.: 5438-13-1
Name: 1,2-Dibromonaphthalene
Article Data: 3
Molecular Structure:
Molecular Structure of 5438-13-1 (1,2-Dibromonaphthalene)
Formula: C10H6Br2
Molecular Weight: 285.966
Synonyms: 1,2-Dibromonaphthalene
Density: 1.834 g/cm3
Melting Point: 68 °C
Boiling Point: 341.7 °C at 760 mmHg
Flash Point: 186.6 °C
Appearance: crystallize
PSA: 0.00000
LogP: 4.36480
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Specification

With the CAS registry number 5438-13-1, the IUPAC name of 1,2-Dibromonaphthalene is 1,2-dibromonaphthalene. Besides, it is crystallize, which should be sealed in dark place. And this chemical is used in organic synthesis. In addition, its molecular formula is C10H6Br2 and molecular weight is 285.96.

The other characteristics of 1,2-Dibromonaphthalene can be summarized as: (1)ACD/LogP: 4.86; (2)# of Rule of 5 Violations: 0; (3)H bond acceptors: 0; (4)H bond donors: 0; (5)Freely Rotating Bonds: 0; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.688; (8)Molar Refractivity: 59.47 cm3; (9)Molar Volume: 155.9 cm3; (10)Polarizability: 23.57×10-24cm3; (11)Surface Tension: 48.7 dyne/cm; (12)Density: 1.834 g/cm3; (13)Flash Point: 186.6 °C; (14)Melting Point: 68 °C; (15)Enthalpy of Vaporization: 56.22 kJ/mol; (16)Boiling Point: 341.7 °C at 760 mmHg; (17)Vapour Pressure: 0.000156 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Brc1c2c(ccc1Br)cccc2
(2)InChI:InChI=1/C10H6Br2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H
(3)InChIKey:QGZAUMUFTXCDBD-UHFFFAOYAA
(4)Std. InChI:InChI=1S/C10H6Br2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H
(5)Std. InChIKey:QGZAUMUFTXCDBD-UHFFFAOYSA-N