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58556-75-5

Basic Information
CAS No.: 58556-75-5
Name: Naphthalene,2,7-dibromo-
Molecular Structure:
Molecular Structure of 58556-75-5 (Naphthalene,2,7-dibromo-)
Formula: C10H6Br2
Molecular Weight: 285.96
Synonyms: 2,7-Dibromonaphthalene;
EINECS: 626-418-9
Density: 1.834 g/cm3
Melting Point: 141 ºC
Boiling Point: 339.1 ºC at 760 mmHg
Flash Point: 184.7 ºC
Solubility:
Appearance: white solid
Hazard Symbols: IrritantXi
Risk Codes: 36-51/53
Safety: 22-24/25
Transport Information: UN 3077
PSA: 0.00000
LogP: 4.36480
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Specification

With the CAS registry number 58556-75-5, the IUPAC name of Naphthalene,2,7-dibromo- is 2,7-dibromonaphthalene. The product's categories are Naphthalene Derivatives; API Intermediates; Aryl; C9 to C12; Halogenated Hydrocarbons. It is white solid which is stable under normal temperature and pressure. When use it, people should not breathe dust and avoid contact with skin and eyes. Additioanlly, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.99; (4)ACD/LogD (pH 7.4): 4.99; (5)ACD/BCF (pH 5.5): 3666.34; (6)ACD/BCF (pH 7.4): 3666.34; (7)ACD/KOC (pH 5.5): 12384.32; (8)ACD/KOC (pH 7.4): 12384.32; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.688; (13)Molar Refractivity: 59.47 cm3; (14)Molar Volume: 155.9 cm3; (15)Polarizability: 23.57×10-24 cm3; (16)Surface Tension: 48.7 dyne/cm; (17)Enthalpy of Vaporization: 55.95 kJ/mol; (18)Vapour Pressure: 0.000184 mmHg at 25°C; (19)Exact Mass: 285.881579; (20)MonoIsotopic Mass: 283.883625; (21)Heavy Atom Count: 12; (22)Complexity: 142.

Preparation of Naphthalene,2,7-dibromo-: It can be obtianed by naphthalene-2,7-diol. This reaction needs reagent Ph3PBr2 and solvent acetonitrile.

Uses of Naphthalene,2,7-dibromo-: It can react with chloromethylphenylsilane to get 2,7-bis-(methyl-phenyl-silanyl)-naphthalene. This reaction needs reagent magnesium and solvent tetrahydrofuran at ambient temperature. The yield is 39%.

People can use the following data to convert to the molecule structure.
1. SMILES:Brc1cc2c(cc1)ccc(Br)c2
2. InChI:InChI=1/C10H6Br2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H 
3. InChIKey:ODJZWBLNJKNOJK-UHFFFAOYAY