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13214-70-5

Basic Information
CAS No.: 13214-70-5
Name: 2,3-DIBROMONAPHTHALENE
Article Data: 18
Molecular Structure:
Molecular Structure of 13214-70-5 (2,3-DIBROMONAPHTHALENE)
Formula: C10H6Br2
Molecular Weight: 285.966
Synonyms: 2,3-Dibromonaphthalene;
Density: 1.834 g/cm3
Melting Point: 140.0 to 144.0 °C
Boiling Point: 341.7 ºC at 760 mmHg
Flash Point: 186.6 ºC
Solubility: 136.6ug/L(25 oC)
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
Safety: 24/25
PSA: 0.00000
LogP: 4.36480
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Specification

The IUPAC name of 2,3-Dibromonaphthalene is 2,3-dibromonaphthalene. With the CAS registry number 13214-70-5, it is also named as Naphthalene, 2,3-dibromo-. The product's category is Synthesis Material Intermediates. In addition, its molecular formula is C10H6Br2 and molecular weight is 285.96.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.86; (4)ACD/LogD (pH 7.4): 4.86; (5)ACD/BCF (pH 5.5): 2903.63; (6)ACD/BCF (pH 7.4): 2903.63; (7)ACD/KOC (pH 5.5): 10480.18; (8)ACD/KOC (pH 7.4): 10480.18; (9)H bond acceptors: 0; (10)H bond donors: 0; (11)Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 59.47 cm3; (15)Molar Volume: 155.9 cm3; (16)Polarizability: 23.57×10-24cm3; (17)Surface Tension: 48.7 dyne/cm; (18)Density: 1.834 g/cm3; (19)Flash Point: 186.6 °C; (20)Enthalpy of Vaporization: 56.22 kJ/mol; (21)Boiling Point: 341.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000156 mmHg at 25 °C.

Preparation of 2,3-Dibromonaphthalene: this chemical can be prepared by 6,7-Dibromo-1,4-epoxy-1,4-dihydronaphthalene.



This reaction needs Zn dust, TiCl4 and Tetrahydrofuran by heating. The yield is 86 %.

Uses of 2,3-Dibromonaphthalene: it can react with 1-tert-Butyl-pyrrole to get 11-tert-Butyl-1,4-dihydroanthracen-1,4-imine.



This reaction needs PhLi, Tetrahydrofuran and Cyclohexane at temperature of 25 °C. The reaction time is 1 hour. The yield is 78 %.

People can use the following data to convert to the molecule structure.
(1)SMILES:Brc2cc1c(cccc1)cc2Br
(2)InChI:InChI=1/C10H6Br2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H
(3)InChIKey:GTILXPRQNNYDHT-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C10H6Br2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6H
(5)Std. InChIKey:GTILXPRQNNYDHT-UHFFFAOYSA-N